SCHEMBL1136068

SCHEMBL1136068

CC(C)(C)c1ccccc1Oc1ccccc1NC(N)=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 8/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALOX12 P18054 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ IDO1 P14902 6/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ P2RY14 Q15391 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41

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
SCHEMBL1135307 0.84 P2RY1 (0.65) P2RY1P2RY14
SCHEMBL16031280 0.82 GRIN2D (0.58) L3MBTL1ALOX12KDM4ELMNAGRIN2D
SCHEMBL3168466 0.82 P2RY1 (0.38) P2RY1L3MBTL1ALOX12GRIN2DGRIN3B
SCHEMBL11158772 0.80 ALDH1A1 (0.49) L3MBTL1ALOX12KDM4ELMNAPOLB
SCHEMBL9617102 0.76 HPGD (0.50) L3MBTL1ALOX12KDM4EGAA
SCHEMBL11159755 0.76 ALDH1A1 (0.51) L3MBTL1ALOX12KDM4ELMNAGAA
SCHEMBL127278 0.76 ALDH1A1 (0.48) P2RY1KDM4ELMNAGAA
SCHEMBL30500977 0.76 ALDH1A1 (0.48) P2RY1KDM4ELMNAGAA
SCHEMBL7815135 0.76 ADRA2C (0.59) L3MBTL1ALOX12KDM4ELMNAPOLB
SCHEMBL1396138 0.75 ALDH1A1 (0.64) ALOX12KDM4ELMNAGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 — — US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 — — US disclosed
EP-1954696-B1 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 — — EP disclosed
EP-1954696-B1 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 — — EP disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
EP-1954696-A2 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Bristol-Myers Squibb Company (US) 2008-08-13 — — EP disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 — — WO disclosed
US-20060173002-A1 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-08-03 — — US disclosed
WO-2006078621-A2 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 — — 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-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 P2RY1 1/4885L3MBTL1 4759/4885ALOX12 533/4885
US-20060173002-A1 Heteroaryl compounds as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 P2RY1 1/4885L3MBTL1 4759/4885ALOX12 533/4885

“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.

Send feedback