SCHEMBL4098055

SCHEMBL4098055

COC(=S)c1ccc(C)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47
TRPA1 O75762 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MYC P01106 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PLG P00747 3/20 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
SCHEMBL10373446 0.84 CSNK2A1 (0.52) TRPA1NPC1RAB9ATP53TDP1
SCHEMBL7001137 0.80 ACHE (0.54) IDO1TDO2MEN1KMT2AACHE
SCHEMBL4093981 0.78 KDM4E (0.43) TDP1CA12CA1CA2CA7
SCHEMBL10374433 0.78 NPC1 (0.61) NPC1RAB9ATAS1R3TAS1R1TDP1
SCHEMBL27721513 0.78 CPS1 (0.38) NPC1RAB9AMEN1KMT2AACHE
SCHEMBL9816577 0.78 GABRA1 (0.45) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL8433610 0.77 TRPA1 (0.52) IDO1TDO2TRPA1NPC1RAB9A
SCHEMBL11993823 0.76 IDO1 (0.47) IDO1TDO2TRPA1NPC1RAB9A
SCHEMBL135979 0.76 CA12 (0.69) IDO1TDO2NPC1RAB9ATDP1
SCHEMBL23045195 0.74 CA12 (0.67) IDO1TDO2NPC1RAB9ATDP1

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-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
EP-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 EP disclosed
EP-1644334-B1 ANTITHROMBOTIC ETHERS LILLY CO ELI (US) 2008-01-02 EP disclosed
EP-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 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 (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-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF MIF, CCL2, MSR1 IDO1 345/4885TDO2 1904/4885TRPA1 2994/4885
US-20080108594-A1 Antithrombotic Ethers F11, SERPINC1, F2 IDO1 3636/4885TDO2 3690/4885TRPA1 2308/4885

“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.