SCHEMBL4968985

SCHEMBL4968985

Cc1cc(Cl)c2c(c1)N(CCC(=O)O)C(=O)[C@@H](C(C)C)O2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.38
KDM4C Q9H3R0 1/20 0.36
KMO O15229 6/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.35
THRB P10828 1/20 0.34
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4971074 1.00 BRD4 (0.38) BRD4KDM4CKMOALDH1A1CYP3A4
SCHEMBL4968149 1.00 BRD4 (0.38) BRD4KDM4CKMOALDH1A1CYP3A4
SCHEMBL4968259 0.90 KMO (0.40) BRD4KMOMMEACEMAPK1
SCHEMBL4970715 0.90 KMO (0.40) BRD4KMOMMEACEMAPK1
SCHEMBL4968263 0.90 KMO (0.40) BRD4KMOMMEACEMAPK1
SCHEMBL4970040 0.88 KDM4C (0.41) BRD4KDM4CALDH1A1CYP3A4CYP2C19
SCHEMBL4971222 0.88 KDM4C (0.41) BRD4KDM4CALDH1A1CYP3A4CYP2C19
SCHEMBL4978852 0.88 KDM4C (0.41) BRD4KDM4CALDH1A1CYP3A4CYP2C19
SCHEMBL4967526 0.88 CYP3A4 (0.37) BRD4KDM4CALDH1A1CYP3A4CYP2C19
SCHEMBL4969672 0.88 CYP3A4 (0.37) BRD4KDM4CALDH1A1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP claimed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US claimed
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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 (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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 BRD4 3303/4885KDM4C 2123/4885KMO 1319/4885

“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.