SCHEMBL3436103

SCHEMBL3436103

CC(C)(C)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.47
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
PKM P14618 2/20 0.46
MCOLN3 Q8TDD5 3/20 0.46
TSHR P16473 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PKLR P30613 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL29515858 0.88 L3MBTL1 (0.61) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL384730 0.88 L3MBTL1 (0.61) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL13261737 0.88 ALDH1A1 (0.52) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL751596 0.85 LMNA (0.53) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL2739643 0.82 LMNA (0.59) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL18503826 0.81 ALDH1A1 (0.46) ALDH1A1GAAATMPKMTSHR
SCHEMBL1464736 0.80 LMNA (0.49) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL23520947 0.80 LMNA (0.57) LMNAL3MBTL1ALDH1A1SMN1; SMN2ATM
SCHEMBL18503877 0.79 ALDH1A1 (0.41) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL758323 0.77 ATM (0.66) LMNAL3MBTL1GAAATMF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230332199-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS RATIO THERAPEUTICS, INC. 2023-10-19 US disclosed
US-20230332199-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS RATIO THERAPEUTICS, INC. 2023-10-19 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-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof UNIVERSITY OF OTTAWA (CA) 2021-01-19 US disclosed
US-20180066298-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS RATIO THERAPEUTICS, INC. 2018-03-08 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9216950-B2 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-12-22 US disclosed
US-9216950-B2 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-12-22 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO 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 (10 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-20230332199-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS IL1RN, IL2RA, IL1A LMNA 2979/4885L3MBTL1 2189/4885ALDH1A1 1896/4885
US-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 LMNA 1009/4885L3MBTL1 1974/4885ALDH1A1 1505/4885
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT LMNA 510/4885L3MBTL1 3452/4885ALDH1A1 89/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 LMNA 3414/4885L3MBTL1 4242/4885ALDH1A1 2153/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885L3MBTL1 2200/4885ALDH1A1 3957/4885
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 LMNA 1265/4885L3MBTL1 3540/4885ALDH1A1 495/4885
US-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof TGM2, TGM1, TGM3 LMNA 3919/4885L3MBTL1 3483/4885ALDH1A1 1437/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 LMNA 3991/4885L3MBTL1 1509/4885ALDH1A1 914/4885
US-20180066298-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS IL1RN, IL2RA, IL1A LMNA 2979/4885L3MBTL1 2189/4885ALDH1A1 1896/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 LMNA 1009/4885L3MBTL1 1974/4885ALDH1A1 1505/4885

“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.