SCHEMBL6741238

SCHEMBL6741238

COc1ccc(-n2cc(C(=O)O)c(C(F)(F)F)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.57
GAA P10253 1/20 0.54
DGAT1 O75907 7/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.48
AURKA O14965 3/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4297940 0.86 DGAT1 (0.69) DGAT1AURKA
SCHEMBL408898 0.83 DGAT1 (0.48) L3MBTL1DGAT1MEN1KMT2AALDH1A1
SCHEMBL408273 0.83 DGAT1 (0.54) L3MBTL1ATMDGAT1MEN1KMT2A
SCHEMBL7507121 0.83 GAA (0.47) L3MBTL1ATMGAADGAT1MEN1
SCHEMBL14319143 0.82 DGAT1 (0.45) L3MBTL1DGAT1ALDH1A1CA12CA9
SCHEMBL407419 0.82 DGAT1 (0.54) L3MBTL1GAADGAT1MEN1KMT2A
SCHEMBL4293751 0.80 ALDH1A1 (0.54) L3MBTL1DGAT1KMT2AALDH1A1LMNA
SCHEMBL6052367 0.80 L3MBTL1 (0.63) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL20864076 0.79 L3MBTL1 (0.61) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL4774277 0.78 DGAT1 (0.44) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689770-B2 AN INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP disclosed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US disclosed
US-6399644-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2002-06-04 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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI L3MBTL1 3304/4885ATM 3832/4885GAA 629/4885

“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.