SCHEMBL2548458

SCHEMBL2548458

N#Cc1ccccc1SS

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPT P10636 4/20 0.37
AR P10275 3/20 0.37
PGR P06401 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTT P42858 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL11241316 0.81 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL7118195 0.80 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL100732 0.80 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL224653 0.80 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL30320250 0.80 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL19779893 0.79 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL514630 0.76 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11213795 0.76 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1888696 0.76 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL4968573 0.76 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102166403-B Multilayer core golf ball ACUSHNET CO 2015-02-18 CN disclosed
EP-1996541-B1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
CN-102166402-A Multilayer core golf ball ACUSHENT COMPANY 2011-08-31 CN disclosed
CN-102166403-A Multilayer core golf ball ACUSHENT COMPANY 2011-08-31 CN disclosed
CN-102166404-A Multilayer core golf ball ACUSHENT COMPANY 2011-08-31 CN disclosed
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
EP-1996541-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2008-12-03 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007103996-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
CN-1071324-C Process and intermediates for preparing 3- (1-piperazinyl) -1, 2-benzisothiazole PFIZER (US) 2001-09-19 CN disclosed
CN-1201457-A Process and intermediates for preparing 30(1-piperazinyl)-1,2-benzisothiazole PFIZER (US) 1998-12-09 CN 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 (2 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 CYP1A2 409/4885CYP3A4 201/4885CYP2C9 81/4885
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 CYP1A2 224/4885CYP3A4 349/4885CYP2C9 48/4885

“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.