SCHEMBL2814293

SCHEMBL2814293

CC(C)c1cc(F)ccc1S(=O)(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.44
PSEN2 P49810 6/20 0.44
APH1B Q8WW43 6/20 0.44
NCSTN Q92542 6/20 0.44
APH1A Q96BI3 6/20 0.44
PSENEN Q9NZ42 6/20 0.44
TRPV4 Q9HBA0 4/20 0.43
RECQL P46063 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
CCR2 P41597 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL18929871 0.83 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2810380 0.79 TRPV4 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30714189 0.78 TRPV4 (0.40) TRPV4SMN1; SMN2
SCHEMBL2814134 0.78 TRPV4 (0.40) TRPV4SMN1; SMN2
SCHEMBL4617330 0.77 HTR2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29764212 0.75 TSHR (0.47) TRPV4RXFP1
SCHEMBL181280 0.75 TSHR (0.47) TRPV4RXFP1
SCHEMBL5757186 0.74 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7027875 0.74 TRPV4 (0.37) TRPV4
SCHEMBL113810 0.74 AKR1B1 (0.46) TRPV4CCR2

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 PSEN1 4251/4885PSEN2 4454/4885APH1B 2557/4885

“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.