SCHEMBL2810380

SCHEMBL2810380

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.53
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CNR2 P34972 2/20 0.37
FABP4 P15090 1/20 0.36
CCR2 P41597 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 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
SCHEMBL24420550 0.81 DDR1 (0.43) TRPV4GABRA1GABRB1HTTLMNA
SCHEMBL21171934 0.81 TRPV4 (0.53) TRPV4HTTLMNACCR2PSEN1
SCHEMBL30714189 0.79 TRPV4 (0.40) TRPV4GABRA1GABRB1LMNAFABP4
SCHEMBL2814134 0.79 TRPV4 (0.40) TRPV4GABRA1GABRB1LMNAFABP4
SCHEMBL2814293 0.79 PSEN1 (0.44) TRPV4CCR2PSEN1PSEN2APH1B
SCHEMBL7027875 0.75 TRPV4 (0.37) TRPV4GABRA1GABRB1FABP4MEN1
SCHEMBL30534761 0.75 TRPV4 (0.37) TRPV4GABRA1GABRB1FABP4MEN1
SCHEMBL31726245 0.75 TRPV4 (0.57) TRPV4CNR2PTGDR2
SCHEMBL21507979 0.75 CCR2 (0.51) LMNACNR2CCR2KMT2A
SCHEMBL11856274 0.74 TRPV4 (0.42) TRPV4GABRA1GABRB1HTTLMNA

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 TRPV4 2891/4885GABRA1 2590/4885GABRB1 3334/4885

“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.