SCHEMBL6465862

SCHEMBL6465862

O=C(O)CC(Cl)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 3/20 0.60
CPA1 P15085 2/20 0.60
CPB1 P15086 1/20 0.60
CPB2 Q96IY4 1/20 0.60
AKR1B1 P15121 1/20 0.52
CYP1A2 P05177 1/20 0.52
MIF P14174 1/20 0.50
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
KEAP1 Q14145 1/20 0.48
MDM2 Q00987 1/20 0.47
LTA4H P09960 2/20 0.46
SLC15A1 P46059 1/20 0.46
FOLH1 Q04609 1/20 0.46
FFAR1 O14842 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL11833051 0.89 ABCC4 (0.58) CPA3CPA1CPB1CPB2PTGS1
SCHEMBL26926921 0.88 CYP1A2 (0.52) CPA3CPA1CPB1CPB2AKR1B1
SCHEMBL11827865 0.84 SLC6A4 (0.50) CPA3CPA1CPB1CPB2AKR1B1
SCHEMBL11827203 0.84 FFAR1 (0.58) LTA4HFFAR1MMP12
SCHEMBL1041959 0.84 EPHX1 (0.50) CPA3CPA1CPB1CPB2AKR1B1
SCHEMBL6461555 0.84 MME (0.50) CPA1CYP1A2
SCHEMBL11830881 0.82 PTGS1 (0.53) PTGS1
SCHEMBL11838196 0.82 ALDH1A1 (0.47) CPA3CPA1CPB1CPB2
SCHEMBL6461552 0.82 KMT2A (0.51) CPA3CPA1CPB1CPB2FFAR1
SCHEMBL11828222 0.81 CTBP2 (0.45) CPA3CPA1CPB1CPB2MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 EP 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 (1 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 CPA3 702/4885CPA1 1848/4885CPB1 1666/4885

“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.