SCHEMBL10197078

SCHEMBL10197078

C=C1Cc2ccccc2S1(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
GPR3 P46089 1/20 0.39
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NOX1 Q9Y5S8 1/20 0.35
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
BCHE P06276 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL290638 0.81 MAOA (0.54) MAOAGPR3CYP1A2KMT2AMEN1
SCHEMBL29958223 0.81 MAOA (0.54) MAOAGPR3CYP1A2KMT2AMEN1
SCHEMBL29844652 0.81 MAOA (0.54) MAOAGPR3CYP1A2KMT2AMEN1
SCHEMBL12035934 0.81 GPR3 (0.38) MAOAGPR3CYP1A2KMT2AMEN1
Water SCHEMBL7420168 0.79 MAOA (0.53) MAOAGPR3CYP1A2KMT2AMEN1
SCHEMBL1501789 0.76 MAOA (0.42) MAOAGPR3CYP1A2KMT2AMEN1
SCHEMBL9781138 0.72 MAOA (0.47) MAOAGPR3CYP1A2KMT2AMEN1
SCHEMBL19820978 0.72 GPR3 (0.52) MAOAGPR3CYP1A2KMT2AMEN1
SCHEMBL10197082 0.71 PLCG1 (0.39) MAOAGPR3CYP1A2KMT2AMEN1
SCHEMBL27576130 0.71 MAOA (0.40) MAOAGPR3CYP1A2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 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 (2 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MAOA 1835/4885GPR3 1556/4885CYP1A2 443/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAOA 4125/4885GPR3 2108/4885CYP1A2 4750/4885

“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.