SCHEMBL5926299

SCHEMBL5926299

O=C(O)CC(NC(=O)c1cc(Cl)ccc1NCc1cccc2ccccc12)c1ccc(-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 10/20 0.43
▸ EGLN2 Q96KS0 2/20 0.41
▸ EGLN1 Q9GZT9 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ XBP1 P17861 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ G6PD P11413 1/20 0.38
▸ CYP26A1 O43174 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL3978076 0.92 EGLN2 (0.47) CTSAEGLN2EGLN1MAPTXBP1
SCHEMBL5926269 0.89 CTSA (0.41) CTSAMAPTXBP1KMT2AHTT
SCHEMBL5926904 0.89 CTSA (0.50) CTSAMAPTXBP1KMT2ACHRNB2
SCHEMBL5926676 0.88 CTSA (0.45) CTSAEGLN2EGLN1MAPTKMT2A
SCHEMBL5926984 0.87 FFAR1 (0.46) CTSAEGLN2EGLN1HTTCYP26A1
SCHEMBL5927434 0.86 EGLN2 (0.44) CTSAEGLN2EGLN1KMT2AHTT
SCHEMBL5926295 0.86 ITGA4 (0.44) CHRNB2CHRNA4HTT
SCHEMBL5926305 0.85 CYP26A1 (0.44) CTSAEGLN2EGLN1CYP26A1
SCHEMBL3992039 0.85 CTSA (0.44) CTSACHRNB2CHRNA4CYP26A1
SCHEMBL5926161 0.84 CASP3 (0.42) CTSAEGLN2EGLN1MAPTXBP1

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-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 claimed
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 638/4885EGLN2 1823/4885EGLN1 2218/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CTSA 426/4885EGLN2 636/4885EGLN1 872/4885

“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.

Send feedback