SCHEMBL3159397

SCHEMBL3159397

CC(C)(C)c1ccccc1Oc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PIN1 Q13526 11/20 0.45
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
IDO1 P14902 1/20 0.39
KIF18A Q8NI77 1/20 0.39

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
SCHEMBL3148533 0.86 ALDH1A1 (0.47) ALDH1A1PIN1HTTSMN1; SMN2MAPT
SCHEMBL3159751 0.85 ALDH1A1 (0.46) ALDH1A1PIN1HPGDHTTLMNA
SCHEMBL307028 0.82 PIN1 (0.65) ALDH1A1PIN1HPGDSMN1; SMN2MAPT
SCHEMBL4910462 0.80 ALDH1A1 (0.55) ALDH1A1PIN1HTTMAPTGFER
SCHEMBL1135643 0.79 ALDH1A1 (0.74) ALDH1A1HTTATMMAPTGFER
SCHEMBL30042504 0.79 ALDH1A1 (0.74) ALDH1A1HTTATMMAPTGFER
SCHEMBL306660 0.79 PIN1 (0.62) ALDH1A1PIN1HPGDLMNAATM
SCHEMBL4912851 0.79 CCR2 (0.54) ALDH1A1PIN1HTTLMNAMAPT
SCHEMBL3257631 0.78 CYP1A2 (0.45) LMNASMN1; SMN2MAPTIDO1
SCHEMBL4910090 0.77 ALDH1A1 (0.47) ALDH1A1PIN1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 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 (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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885PIN1 4431/4885HPGD 676/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885PIN1 4431/4885HPGD 676/4885

“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.