SCHEMBL3632087

SCHEMBL3632087

C=CCS(=O)(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
HPGD P15428 5/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PTPRB P23467 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9495051 0.85 HPGD (0.44) KMT2AHPGDLMNACA2CA1
SCHEMBL321565 0.80 KEAP1 (0.47) KMT2AHPGDLMNACA12CA2
SCHEMBL11663915 0.79 HPGD (0.40) KMT2AHPGDLMNACA12CA2
SCHEMBL1017480 0.79 HPGD (0.72) KMT2AHPGDLMNACA12CA2
SCHEMBL3634388 0.77 KMT2A (0.59) KMT2ACA12CA2CA9CA1
SCHEMBL9490752 0.77 HPGD (0.70) KMT2AHPGDLMNACA12CA2
SCHEMBL28791142 0.76 HPGD (0.50) KMT2AHPGDLMNACA12CA2
SCHEMBL1679405 0.75 KIF11 (0.41) KMT2AHPGDLMNACA12CA2
SCHEMBL9489980 0.75 HPGD (0.57) KMT2AHPGDLMNACA12CA2
SCHEMBL1018533 0.74 TSHR (0.54) KMT2ACA12CA2CA9CA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150252019-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2015-09-10 US disclosed
US-9067929-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-30 US disclosed
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-03-13 US disclosed
US-8586600-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2013-11-19 US disclosed
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-8242271-B2 Heterocyclic compounds and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-08-14 US disclosed
EP-2152079-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2010-02-17 EP disclosed
WO-2008151183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-11 WO disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 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 (4 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-20150252019-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 KMT2A 3534/4885HPGD 116/4885LMNA 1530/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 KMT2A 3534/4885HPGD 116/4885LMNA 1530/4885
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 KMT2A 3534/4885HPGD 116/4885LMNA 1530/4885
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 KMT2A 3534/4885HPGD 116/4885LMNA 1530/4885

“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.