SCHEMBL4707402

SCHEMBL4707402

CCS(=O)(=O)c1ccc(C#N)cc1NC(=O)OCCc1ccc(B(O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 8/20 0.39
ENPP2 Q13822 1/20 0.35
GPR35 Q9HC97 1/20 0.34
RORC P51449 4/20 0.34
TRPV4 Q9HBA0 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL3863276 0.82 MGLL (0.39) RORCLPLLIPG
SCHEMBL4759041 0.82 DDR1 (0.39) DDR1ENPP2RORCPTGES2LPL
SCHEMBL3862478 0.76 MGLL (0.52) ENPP2
SCHEMBL3865116 0.70 MGLL (0.40)
SCHEMBL3857554 0.70 SMN1; SMN2 (0.36)
SCHEMBL3861433 0.69 SMN1; SMN2 (0.37)
SCHEMBL3860624 0.67 HDAC3 (0.40) RORCLPLLIPG
SCHEMBL18035276 0.67 DDR1 (0.47) DDR1TRPV4PTGES2
SCHEMBL28772042 0.66 PPARD (0.46) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL3858613 0.66 CA12 (0.45) RORCLPLLIPG

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
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 DDR1 2791/4885ENPP2 594/4885GPR35 3517/4885

“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.