SCHEMBL7230719

SCHEMBL7230719

COC(=O)c1cc(OCS)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.48
ALPL P05186 11/20 0.47
MAPT P10636 6/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HPGDS O60760 1/20 0.41
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL17479592 0.85 MAPK1 (0.62) MAPK1RAB9ANPC1GAAALPL
SCHEMBL3202467 0.84 MAPK1 (0.60) MAPK1RAB9ANPC1GAAALPL
SCHEMBL5113642 0.83 MAPK1 (0.58) MAPK1RAB9ANPC1GAAALPL
SCHEMBL3217260 0.81 ALPL (0.64) MAPK1RAB9ANPC1GAAALPL
SCHEMBL30107039 0.81 MAPK1 (0.70) MAPK1RAB9ANPC1GAAALPL
SCHEMBL5111954 0.78 GAA (0.56) MAPK1RAB9ANPC1GAAALPL
SCHEMBL7998000 0.78 MAPK1 (0.53) MAPK1RAB9ANPC1GAAALPL
SCHEMBL26927238 0.76 MAPK1 (0.50) MAPK1RAB9ANPC1GAAALPL
SCHEMBL68056 0.75 MAPK1 (1.00) MAPK1RAB9ANPC1GAAALPL
SCHEMBL3216117 0.75 MAPK1 (0.62) MAPK1RAB9ANPC1GAAALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548525-B2 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US disclosed
US-6271237-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO disclosed
EP-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP disclosed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 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-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors F12, F11, F2 MAPK1 598/4885RAB9A 1482/4885NPC1 846/4885

“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.