SCHEMBL2808716

SCHEMBL2808716

CCc1cc(F)ccc1S(=O)(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TRPV4 Q9HBA0 3/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RIPK1 Q13546 1/20 0.36
KMT2A Q03164 1/20 0.36
DDR1 Q08345 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
SLC6A4 P31645 2/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR2 P41597 1/20 0.35
PARK7 Q99497 1/20 0.34

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
SCHEMBL29054624 0.85 KDM4E (0.41) KDM4ETRPV4PSEN1PSEN2APH1B
SCHEMBL4118278 0.84 KDM4E (0.44) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL14225281 0.82 DDR1 (0.46) KDM4ETSHRMAPK1DDR1SLC6A4
SCHEMBL7433447 0.81 CA2 (0.42) KDM4ETSHRMAPK1
SCHEMBL701645 0.80 HTR2A (0.41) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL13739523 0.79 TSHR (0.45) TSHR
SCHEMBL23732609 0.78 RAPGEF4 (0.41) KDM4ETRPV4TSHRKMT2ASMN1; SMN2
SCHEMBL11541207 0.78 ALDH1A1 (0.40) TRPV4TSHRMAPK1KMT2ASMN1; SMN2
SCHEMBL15626809 0.77 RIPK1 (0.48) KDM4ETRPV4RIPK1DDR1SMN1; SMN2
SCHEMBL13832719 0.77 TRPV4 (0.40) KDM4ETRPV4KMT2ADDR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334410-B2 Method for producing 3-mercaptoaniline compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
US-20100249462-A1 METHOD FOR PRODUCING 3-MERCAPTOANILINE COMPOUND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-30 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 (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-20100249462-A1 METHOD FOR PRODUCING 3-MERCAPTOANILINE COMPOUND TST, SULT2A1, SULT1E1 KDM4E 1402/4885TRPV4 2891/4885PSEN1 4251/4885

“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.