SCHEMBL3200436

SCHEMBL3200436

COC(=O)c1sc2cc(Cl)ccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.45
BCKDK O14874 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 8/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 5/20 0.38
CMA1 P23946 2/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3192644 0.81 BCKDK (0.39) MCL1BCKDKRXFP1MAPTNPC1
SCHEMBL3193835 0.78 KDM4E (0.36) RXFP1MAPTNPC1RAB9AKMT2A
SCHEMBL148299 0.78 RXFP1 (0.48) MCL1BCKDKRXFP1MAPTNPC1
SCHEMBL3203106 0.77 PFKFB4 (0.43) MCL1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL9920671 0.76 MAPT (0.39) MCL1MAPTPKMKMT2ASMN1; SMN2
SCHEMBL11393470 0.75 RXFP1 (0.48) MCL1BCKDKRXFP1MAPTPKM
Hydrochloric Acid SCHEMBL11393474 0.75 RXFP1 (0.48) MCL1BCKDKRXFP1MAPTPKM
SCHEMBL2578736 0.74 RXFP1 (0.53) MCL1BCKDKRXFP1MAPTNPC1
SCHEMBL15619136 0.74 MCL1 (0.53) MCL1BCKDKRXFP1MAPTNPC1
SCHEMBL4126196 0.74 KDM4E (0.46) MCL1BCKDKRXFP1MAPTNPC1

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-7674822-B2 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH (US) 2010-03-09 US disclosed
US-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH 2006-06-22 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-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid PTPA, PTPRCAP, PTPRC MCL1 4024/4885BCKDK 1677/4885RXFP1 2101/4885

“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.