SCHEMBL5927532

SCHEMBL5927532

O=C(O)CC(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(Cc1ccncc1)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.47
▸ GSK3B P49841 7/20 0.45
▸ ROCK1 Q13464 7/20 0.45
▸ CLK4 Q9HAZ1 7/20 0.45
▸ RPS6KA5 O75582 6/20 0.45
▸ PRKG1 Q13976 6/20 0.45
▸ PKN2 Q16513 6/20 0.45
▸ GSK3A P49840 6/20 0.45
▸ ROCK2 O75116 5/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ SGK2 Q9HBY8 5/20 0.45
▸ PRKACA P17612 5/20 0.45
▸ PRKX P51817 5/20 0.45
▸ IRAK1 P51617 3/20 0.45
▸ RPS6KA4 O75676 1/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ AKT1 P31749 5/20 0.44
▸ PRKCD Q05655 5/20 0.44
▸ PRKG2 Q13237 5/20 0.44
▸ MAP4K4 O95819 4/20 0.44

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
SCHEMBL6100258 0.90 MMP13 (0.44) MMP13GSK3BROCK1CLK4RPS6KA5
SCHEMBL5926234 0.85 NPC1 (0.50) HDAC1MTTPSMN1; SMN2PPARGTMEM97
SCHEMBL5927066 0.84 MTTP (0.49) HDAC1MTTPHDAC3PPARGTMEM97
SCHEMBL5927528 0.80 PTPN1 (0.54) MMP13GSK3BROCK1CLK4RPS6KA5
SCHEMBL5927266 0.77 CYP26A1 (0.50) MMP13GSK3BROCK1CLK4RPS6KA5
SCHEMBL5926229 0.77 NPC1 (0.49) HDAC1MTTPSMN1; SMN2PPARG
SCHEMBL5927274 0.76 HPGDS (0.50) FFAR1MTTPSMN1; SMN2
SCHEMBL5926183 0.76 MTTP (0.47) HDAC1MTTPHDAC3PPARGTMEM97
SCHEMBL5926792 0.75 FFAR1 (0.47) FFAR1MTTPSMN1; SMN2PPARG
SCHEMBL5926703 0.74 MTTP (0.49) MMP13HDAC1MTTPHDAC3PPARG

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
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
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP 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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — 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 (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 MMP13 147/4885GSK3B 303/4885ROCK1 972/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 MMP13 464/4885GSK3B 259/4885ROCK1 2835/4885

“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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