SCHEMBL6980196

SCHEMBL6980196

N#CCS(=O)(=O)c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
TP53 P04637 1/20 0.32
EDNRA P25101 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL751 0.71 PSIP1 (0.54) HSD11B1TP53ALDH1A1CA12CA1
SCHEMBL12360342 0.71 PTGDR2 (0.37) HSD11B1EDNRAALDH1A1MAPT
SCHEMBL3247012 0.69 ALDH1A1 (0.50) HSD11B1TP53ALDH1A1CA12CA1
Methane SCHEMBL8122177 0.69 PSIP1 (0.52) HSD11B1TP53ALDH1A1CA12CA1
SCHEMBL3272540 0.69 HTR6 (0.39) HSD11B1EDNRAALDH1A1
SCHEMBL10814408 0.69 EDNRA (0.40) EDNRA
SCHEMBL4074745 0.68 ENPP2 (0.45) TP53
SCHEMBL2320786 0.68 PSEN1 (0.46) HSD11B1TP53ALDH1A1CA1CA2
SCHEMBL4079205 0.68 F2 (0.41) TP53CA12CA1CA2CA9
SCHEMBL1169954 0.68 ALDH1A1 (0.55) TP53ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
US-5886195-A REACTING AN APPROPRIATE CARBOXALDEHYDE WITH AN APPROPRIATE SULFONYLACETONITRILE SUGEN, INC. (US) 1999-03-23 US disclosed
US-5710173-A ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS SUGEN, INC. (US) 1998-01-20 US disclosed
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 WO 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-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 HSD11B1 970/4885TP53 4848/4885EDNRA 2095/4885

“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.