SCHEMBL478975

SCHEMBL478975

COP(=O)(CC(=O)[C@H](Cc1ccc(NC(=O)OC(C)(C)C)nc1)NC(=O)OCc1ccccc1)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
KYNU Q16719 1/20 0.43
SYK P43405 1/20 0.43
ACE P12821 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
PPARA Q07869 1/20 0.41
TACR1 P25103 1/20 0.41
HDAC1 Q13547 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL478978 0.88 SYK (0.43) ALDH1A1ALOX15SYKACEITGB3
SCHEMBL478955 0.83 ACE (0.50) ALDH1A1ALOX15KYNUSYKACE
SCHEMBL479141 0.80 ACE (0.61) ACEHDAC8PPARACTSLCTSB
SCHEMBL479142 0.80 ACE (0.61) ACEHDAC8PPARACTSLCTSB
SCHEMBL480359 0.80 SYK (0.61) ALDH1A1ALOX15KYNUSYKPPARA
SCHEMBL478534 0.79 ACE (0.43) ACEITGB3ITGA2BHDAC8PPARA
SCHEMBL31407652 0.77 KLK5 (0.48) ACEITGB3ITGA2BHDAC8PPARA
SCHEMBL478503 0.77 ACE (0.47) ACECTSLCTSBCTSSCTSK
SCHEMBL478502 0.77 ACE (0.47) ACECTSLCTSBCTSSCTSK
SCHEMBL8169761 0.74 ITGB3 (0.50) ALDH1A1ALOX15SYKITGB3ITGA2B

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 5 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
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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 (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 ALDH1A1 2830/4885ALOX15 898/4885KYNU 127/4885

“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.