SCHEMBL4968629

SCHEMBL4968629

CCc1cccc(NC(=O)C(Br)C(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CETP P11597 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4968336 0.82 HTT (0.44) POLBALDH1A1HTTL3MBTL1MDM4
SCHEMBL4971514 0.82 HTT (0.44) HTTL3MBTL1MDM4TP53CETP
SCHEMBL4968079 0.81 ALDH1A1 (0.46) GABRA1GABRB2ALDH1A1HTTMDM4
SCHEMBL10359688 0.81 KMT2A (0.54) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4969948 0.81 CXCR2 (0.45) ALDH1A1HTTMDM4TP53MEN1
SCHEMBL10358603 0.81 CA1 (0.47) GABRA1GABRB2HTTMDM4TP53
SCHEMBL10359119 0.81 ALDH1A1 (0.44) ALDH1A1HTTMDM4TP53MEN1
SCHEMBL4897496 0.81 CA1 (0.47) GABRA1GABRB2HTTMDM4TP53
SCHEMBL10359696 0.78 HTT (0.51) POLBALDH1A1HTTTP53TAS1R3
SCHEMBL4970182 0.76 HPGD (0.56) POLBHTTMDM4TP53CETP

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
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
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 GABRA1 3227/4885GABRB2 3610/4885POLB 4733/4885

“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.