SCHEMBL478515

SCHEMBL478515

COC(=O)Nc1ccc(-c2cc(C(N)CCC3CCN(C(=O)OC(C)(C)C)CC3)n[nH]c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
GPR119 Q8TDV5 8/20 0.42
HTT P42858 2/20 0.40
CETP P11597 2/20 0.39
ALDH1A1 P00352 2/20 0.39
FPR2 P25090 3/20 0.39
FPR3 P25089 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TGFBR1 P36897 1/20 0.38
CHEK2 O96017 1/20 0.37

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
SCHEMBL478516 1.00 PTPN2 (0.44) PTPN2PTPN1PTPN6GPR119HTT
SCHEMBL479026 0.84 F11 (0.43) PTPN2PTPN1PTPN6ALDH1A1MAPT
SCHEMBL479027 0.84 F11 (0.43) PTPN2PTPN1PTPN6ALDH1A1MAPT
SCHEMBL478437 0.75 F11 (0.42)
SCHEMBL478434 0.75 F11 (0.42)
SCHEMBL479119 0.75 F11 (0.44) PTPN1ALDH1A1MAPT
SCHEMBL479341 0.74 F11 (0.53) NPC1RAB9A
SCHEMBL479338 0.74 F11 (0.53) NPC1RAB9A
SCHEMBL478745 0.71 F11 (0.46) MAPTMAPK1
SCHEMBL478746 0.71 F11 (0.46) MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 PTPN2 1531/4885PTPN1 1547/4885PTPN6 2917/4885

“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.