SCHEMBL5926229

SCHEMBL5926229

COC(=O)CC(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MTTP P55157 3/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL5926234 0.91 NPC1 (0.50) NPC1RAB9AHDAC1HDAC6NPSR1
SCHEMBL6100258 0.87 MMP13 (0.44) HDAC1MTTPPPARGMEN1KMT2A
SCHEMBL5926183 0.82 MTTP (0.47) RAB9AHDAC1HDAC6MAPTMTTP
SCHEMBL5926227 0.80 NPC1 (0.50) NPC1RAB9AHDAC1HDAC6NPSR1
SCHEMBL5926230 0.78 NPC1 (0.51) NPC1RAB9AHDAC1HDAC6NPSR1
SCHEMBL5927532 0.77 MMP13 (0.47) HDAC1MTTPSMN1; SMN2PPARG
SCHEMBL5926607 0.75 CYP3A4 (0.47) NPC1RAB9AMAPTSMN1; SMN2PPARG
SCHEMBL5927066 0.74 MTTP (0.49) HDAC1HDAC6MTTPHPGDPPARG
SCHEMBL5926572 0.73 RAB9A (0.47) NPC1RAB9AMGLLMAPTTP53
SCHEMBL5926349 0.73 MAPK14 (0.47) NPC1RAB9AHDAC1HDAC6MAPT

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 NPC1 4219/4885RAB9A 211/4885HDAC1 1637/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 NPC1 3103/4885RAB9A 524/4885HDAC1 656/4885

“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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