SCHEMBL5926784

SCHEMBL5926784

O=C(O)CC(NC(=O)c1cc(Br)ccc1Cl)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 6/20 0.60
▸ ITGB2 P05107 1/20 0.48
▸ ICAM1 P05362 1/20 0.48
▸ ITGAL P20701 1/20 0.48
▸ CYP26A1 O43174 4/20 0.48
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 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
SCHEMBL5926332 0.92 CYP26A1 (0.53) CTSACYP26A1ALDH1A1LMNAMAPK1
SCHEMBL5926870 0.83 ACLY (0.52) CTSACYP26A1
SCHEMBL5927285 0.82 CTSA (0.56) CTSACYP26A1
SCHEMBL5926998 0.81 LRRK2 (0.49) CTSAALDH1A1LMNAMAPK1
SCHEMBL5927344 0.80 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL5926919 0.80 LRRK2 (0.48) ALDH1A1LMNAMAPK1
SCHEMBL3994922 0.80 CTSA (0.56) CTSAMMP3MMP9MMP8MMP12
SCHEMBL4824690 0.79 CTSA (0.51) CTSAMMP3MMP9MMP8MMP12
SCHEMBL5692215 0.79 CTSA (0.57) CTSACYP26A1MMP3MMP9MMP8
SCHEMBL5927393 0.79 KCNA5 (0.50) CTSAMMP3MMP9MMP13

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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — 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 (2 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 CTSA 638/4885ITGB2 188/4885ICAM1 290/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CTSA 426/4885ITGB2 260/4885ICAM1 988/4885

“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.

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