SCHEMBL5097191

SCHEMBL5097191

COC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.45
PTGER1 P34995 1/20 0.44
F10 P00742 9/20 0.43
F2 P00734 4/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL5096940 0.89 KLKB1 (0.47) KLKB1PTGER1F10F2PTGS2
SCHEMBL7546922 0.86 MAPT (0.48) PTGER1PTGS2PTGS1TUBB4ATUBB
SCHEMBL4474291 0.85 KLKB1 (0.47) KLKB1F10MAPTSMN1; SMN2KDM4E
SCHEMBL8266910 0.83 GFER (0.45) F10SMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL1096199 0.79 PTGS2 (0.61) KLKB1PTGER1F10PTGS2PTGS1
Hydrochloric Acid SCHEMBL6173032 0.78 PTGS2 (0.60) KLKB1PTGER1F10PTGS2PTGS1
SCHEMBL5107199 0.78 KDM4E (0.45) PTGER1PTGS2PTGS1MAPTSMN1; SMN2
SCHEMBL17449188 0.74 GRN (0.54) MAPTSMN1; SMN2KDM4EPOLBRECQL
SCHEMBL16054210 0.74 GRN (0.54) KLKB1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL8268597 0.72 F10 (0.53) KLKB1F10F2MAPTSMN1; SMN2

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
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
EP-1812403-A2 PYRAZOLOBENZAMIDES AND DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2007-08-01 EP disclosed
WO-2006047528-A2 PYRAZOLOBENZAMIDES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-04 WO disclosed
US-20060089496-A1 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-04-27 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 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-20060089496-A1 Pyrazolobenzamides and derivatives as factor Xa inhibitors F12, TFPI, PRSS1 KLKB1 115/4885PTGER1 1213/4885F10 50/4885

“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.