SCHEMBL105259

SCHEMBL105259

CC(C)c1ccc(S(=O)(=O)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
TYR P14679 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10060475 0.87 ALDH1A1 (0.40) ALDH1A1MAPTGAACA12CA1
SCHEMBL12695013 0.82 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL11951594 0.82 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL5325314 0.82 NR1I2 (0.39) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL396609 0.81 TSHR (0.54) ALDH1A1LMNAGAACA12CA1
SCHEMBL217302 0.81 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ECA12CA1
SCHEMBL10060466 0.80 CA12 (0.46) MAPTLMNACA12CA1CA2
SCHEMBL11850699 0.80 LMNA (0.70) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL12005159 0.79 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL16852254 0.79 BCHE (0.46) ALDH1A1MAPTLMNAKDM4EGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302142-A1 Cytotoxic Agents Pheon Therapeutics Ltd. (GB) 2023-09-28 US disclosed
US-20230302142-A1 Cytotoxic Agents Pheon Therapeutics Ltd. (GB) 2023-09-28 US disclosed
US-20230002404-A1 HETEROBICYCLIC CARBOXAMIDES AND USES THEREOF ALCON INC. (CH) 2023-01-05 US disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-20210371413-A1 POLYCYCLIC AMIDES AS CYTOTOXIC AGENTS Pheon Therapeutics Ltd. (GB) 2021-12-02 US disclosed
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN BRADLEY MARK (GB) 2019-04-11 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-7825122-B2 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. (US) 2010-11-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 ALDH1A1 153/4885MAPT 3683/4885LMNA 4001/4885
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses GLP1R, GPR119, INSR ALDH1A1 469/4885MAPT 4781/4885LMNA 2635/4885
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 ALDH1A1 3128/4885MAPT 4685/4885LMNA 3669/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 ALDH1A1 1663/4885MAPT 2311/4885LMNA 3281/4885
US-20210371413-A1 POLYCYCLIC AMIDES AS CYTOTOXIC AGENTS PBRM1, NFATC1, ACIN1 ALDH1A1 2616/4885MAPT 6/4885LMNA 2952/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 ALDH1A1 1216/4885MAPT 1218/4885LMNA 3607/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ALDH1A1 4095/4885MAPT 4206/4885LMNA 4186/4885
US-20230002404-A1 HETEROBICYCLIC CARBOXAMIDES AND USES THEREOF UACA, PHKG2, CCAR2 ALDH1A1 3887/4885MAPT 3496/4885LMNA 2156/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 ALDH1A1 4625/4885MAPT 4554/4885LMNA 2268/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 ALDH1A1 2153/4885MAPT 4461/4885LMNA 3414/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885MAPT 3082/4885LMNA 4386/4885
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN TARDBP, DDB1, EPS15 ALDH1A1 4636/4885MAPT 1606/4885LMNA 2713/4885
US-20230302142-A1 Cytotoxic Agents ANXA11, ANXA5, HAX1 ALDH1A1 3438/4885MAPT 1379/4885LMNA 1518/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.