SCHEMBL5926183

SCHEMBL5926183

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 6/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ LSS P48449 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 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
SCHEMBL5927066 0.91 MTTP (0.49) MTTPMEN1KMT2ATMEM97SIGMAR1
SCHEMBL6100258 0.86 MMP13 (0.44) MTTPMEN1KMT2ATMEM97SIGMAR1
SCHEMBL5926229 0.82 NPC1 (0.49) MTTPMEN1KMT2APPARGHDAC1
SCHEMBL5926607 0.81 CYP3A4 (0.47) ALDH1A1PPARGHDAC2CYP3A4MAPT
SCHEMBL5926349 0.79 MAPK14 (0.47) MTTPPPARGHDAC1HDAC3HDAC2
SCHEMBL5926572 0.79 RAB9A (0.47) MTTPMEN1KMT2AALDH1A1PPARG
SCHEMBL5312465 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1CYP3A4
SCHEMBL5926180 0.78 TMEM97 (0.51) MTTPMEN1KMT2ATMEM97SIGMAR1
SCHEMBL5927062 0.77 TMEM97 (0.54) MTTPMEN1KMT2ATMEM97SIGMAR1
SCHEMBL5927532 0.76 MMP13 (0.47) MTTPTMEM97SIGMAR1PPARGHDAC1

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 MTTP 3028/4885MEN1 1372/4885KMT2A 3655/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 MTTP 1668/4885MEN1 3448/4885KMT2A 2112/4885

“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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