SCHEMBL4811641

SCHEMBL4811641

CCC(CC(=O)NC(=O)O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
MMP2 P08253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.41
DHODH Q02127 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
FNTA P49354 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
SCHEMBL5516712 1.00 HDAC1 (0.44) HDAC1CA12CA1MMP2MEN1
SCHEMBL14509042 0.89 HDAC1 (0.44) HDAC1CA12CA1MMP2MEN1
SCHEMBL8996294 0.87 NPSR1 (0.46) HDAC1CA12CA1MMP2MEN1
SCHEMBL8996269 0.87 NPSR1 (0.46) HDAC1CA12CA1MMP2MEN1
SCHEMBL3264820 0.87 HDAC1 (0.43) HDAC1CA12CA1MMP2MEN1
SCHEMBL3264823 0.87 HDAC1 (0.43) HDAC1CA12CA1MMP2MEN1
SCHEMBL8996267 0.87 HDAC1 (0.43) HDAC1CA12CA1MMP2MEN1
SCHEMBL14534749 0.86 HDAC1 (0.46) HDAC1CA12CA1MMP2MEN1
SCHEMBL1734544 0.86 CA12 (0.46) HDAC1CA12CA1MMP2MEN1
SCHEMBL1734546 0.86 CA12 (0.46) HDAC1CA12CA1MMP2MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351849-B2 Process for producing optically active β-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-01 US disclosed
US-7223859-B2 Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative PFIZER INC. (US) 2007-05-29 US disclosed
US-20060205968-A1 Process for producing optically active beta-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-09-14 US disclosed
EP-1656342-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-05-17 EP disclosed
EP-1604975-A1 PROCESSES FOR PRODUCTION OF (R)-3- 4-(TRIFLUOROMETHYL)- PHEN YLAMINO PENTANAMIDE DERIVATIVES KANEKA CORPORATION (JP) 2005-12-14 EP disclosed
WO-2005016866-A2 PROCESS FOR PRODUCING OPTICALLY ACTIIVE BETA-AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-24 WO disclosed
US-20040199005-A1 Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative KANEKA CORPORATION (JP) 2004-10-07 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-20040199005-A1 Method for producing (R) -3- [4- (trifluoromethyl) phenylamino] -pentanoic acid amide derivative CETP, PCTP, MTTP HDAC1 1450/4885CA12 3484/4885CA1 2155/4885
US-20060205968-A1 Process for producing optically active beta-amino acid derivatives BCAT1, ALAD, AADAT HDAC1 4244/4885CA12 934/4885CA1 763/4885

“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.