SCHEMBL3634388

SCHEMBL3634388

C=CS(=O)(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
TGM2 P21980 1/20 0.59
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.44
TEAD4 Q15561 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL28047424 0.81 TGM2 (0.59) KMT2ATGM2MAPK1TEAD4ALDH1A1
SCHEMBL1424434 0.78 TGM2 (0.64) KMT2ATGM2CA1CA2CA12
SCHEMBL3632087 0.77 KMT2A (0.48) KMT2ACA1CA2CA12CA9
SCHEMBL3260420 0.76 PTPRB (0.59) KMT2ACA1CA2CA12CA9
SCHEMBL94878 0.76 TGM2 (0.68) KMT2ATGM2CA1CA2CA12
Terephthalic Acid SCHEMBL28475517 0.76 TSHR (0.57) KMT2ACA1CA2CA12CA9
SCHEMBL11335118 0.76 TGM2 (0.61) KMT2ATGM2CA1CA2HTT
SCHEMBL7813544 0.75 KMT2A (1.00) KMT2AHTTGAATSHRMAPK1
SCHEMBL7813542 0.75 KMT2A (1.00) KMT2AHTTGAATSHRMAPK1
SCHEMBL8011598 0.75 PTPRB (0.57) KMT2ACA1CA2CA12CA9

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 3534/4885TGM2 2759/4885CA1 2061/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 KMT2A 3534/4885TGM2 2759/4885CA1 2061/4885
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 KMT2A 3534/4885TGM2 2759/4885CA1 2061/4885
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 KMT2A 3534/4885TGM2 2759/4885CA1 2061/4885

“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.