SCHEMBL632883

SCHEMBL632883

CC(C)Nc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
MMP2 P08253 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.47
ATM Q13315 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47

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
Hydrochloric Acid SCHEMBL6819297 0.98 CA12 (0.53) CA12MMP2CA9CA14TDP1
SCHEMBL9313156 0.84 TDP1 (0.67) CA12MMP2CA9CA14TDP1
SCHEMBL12826807 0.83 CA12 (0.56) CA12MMP2CA9CA14ALDH1A1
SCHEMBL25791408 0.83 CA12 (0.51) CA12MMP2CA9CA14ALDH1A1
Hydrochloric Acid SCHEMBL6613277 0.82 CA12 (0.50) CA12MMP2CA9CA14ALDH1A1
SCHEMBL22139443 0.80 ALDH1A1 (0.55) CA12MMP2CA9CA14TDP1
Fluorobenzene SCHEMBL28131584 0.80 TDP1 (0.77) TDP1ALDH1A1L3MBTL1ATMTSHR
SCHEMBL28231091 0.78 CA12 (0.55) CA12MMP2CA9CA14ALDH1A1
SCHEMBL19334573 0.78 CA12 (0.50) CA12MMP2CA9CA14ALDH1A1
SCHEMBL873031 0.77 ALDH1A1 (0.56) CA12MMP2CA9CA14TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 WO disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
WO-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 WO disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11230535-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-25 US disclosed
US-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2020-10-29 US disclosed
US-20200181097-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-06-11 US disclosed
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2020-05-14 US disclosed
US-10604492-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSTIY OF CALIFORNIA (US) 2020-03-31 US disclosed
US-20090047252-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-02-19 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 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 (12 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM CA12 2446/4885MMP2 1879/4885CA9 1974/4885
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 CA12 4616/4885MMP2 3991/4885CA9 4627/4885
US-10604492-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 CA12 3257/4885MMP2 2109/4885CA9 2011/4885
US-11230535-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 CA12 3257/4885MMP2 2109/4885CA9 2011/4885
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R CA12 4434/4885MMP2 2910/4885CA9 4132/4885
US-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF PARK7, HTT, PRDX5 CA12 4653/4885MMP2 2161/4885CA9 3995/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 CA12 619/4885MMP2 57/4885CA9 271/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM CA12 2446/4885MMP2 1879/4885CA9 1974/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 CA12 4404/4885MMP2 3375/4885CA9 4385/4885
US-20090047252-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CA12 4309/4885MMP2 3149/4885CA9 3805/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 CA12 4197/4885MMP2 4799/4885CA9 4251/4885
US-20200181097-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 CA12 3257/4885MMP2 2109/4885CA9 2011/4885

“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.