SCHEMBL4481639

SCHEMBL4481639

Cc1cccc(C(=O)OF)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KMT2A Q03164 4/20 0.51
ESR1 P03372 2/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
ESR2 Q92731 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL27855818 0.93 MAPT (0.50) PARP1HDAC8HDAC6KMT2AESR1
SCHEMBL28832198 0.89 DHODH (0.49) PARP1HDAC8HDAC6KMT2AESR1
SCHEMBL44313 0.83 PARP1 (0.61) PARP1HDAC8HDAC6KMT2AESR1
SCHEMBL29397067 0.83 PARP1 (0.61) PARP1HDAC8HDAC6KMT2AESR1
SCHEMBL4188727 0.83 PARP1 (0.61) PARP1HDAC8HDAC6KMT2AESR1
SCHEMBL31316346 0.83 PARP1 (0.61) PARP1HDAC8HDAC6KMT2AESR1
SCHEMBL28884253 0.82 PARP1 (0.55) PARP1HDAC8HDAC6KMT2AESR1
SCHEMBL40429 0.82 GPR17 (0.65) PARP1HDAC8HDAC6KMT2AMEN1
SCHEMBL6904430 0.82 PARP1 (0.59) PARP1HDAC8HDAC6KMT2AESR1
SCHEMBL669300 0.82 PARP1 (0.64) PARP1HDAC8HDAC6KMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271674-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225914-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed
CN-108553467-A Improve the method for diaphragm function 赛特凯恩蒂克公司 2018-09-21 CN disclosed
CN-107074808-A It is used as the therapeutic compound of the acceptor inhibitor of orexin 1 希四克斯探索有限公司 2017-08-18 CN disclosed
CN-105793238-A Substituted benzamides and methods of use thereof 基因泰克公司 2016-07-20 CN disclosed
CN-103502226-B cycloalkenyl aryl derivatives for CETP inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-08-19 CN disclosed
CN-103459369-B Guanidine compound ASTELLAS PHARMA INC 2015-05-27 CN disclosed
CN-104395458-A Improving resistance to skeletal muscle fatigue CYTOKINETICS INC 2015-03-04 CN disclosed
CN-104379597-A Method for improving diaphragm function CYTOKINETICS INC 2015-02-25 CN disclosed
CN-104039149-A Boron-containing small molecules ANACOR PHARMACEUTICALS INC 2014-09-10 CN disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
CN-103804358-A Biaryl hydantoin derivate and preparation method, medicine composition and application thereof SHANGHAI PHARMACEUTICAL GROUP CO LTD 2014-05-21 CN disclosed
CN-103517910-A Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA 2014-01-15 CN disclosed
CN-103502226-A Cycloalkenyl aryl derivatives for CETP inhibitors CHONG KUN DANG PHARM CORP 2014-01-08 CN disclosed
CN-103443105-A Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA 2013-12-11 CN disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
CN-100345853-C Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2007-10-31 CN disclosed
CN-1269817-C Dehalogenated compounds DAIICHI SEIYAKU CO (JP) 2006-08-16 CN disclosed
CN-1486315-A Dehalogenated compounds ��һ��������ҩ��ʽ���� 2004-03-31 CN 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 (1 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B PARP1 1194/4885HDAC8 4123/4885HDAC6 4319/4885

“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.