SCHEMBL4970037

SCHEMBL4970037

CC(C)C(Br)C(=O)Nc1cccc(C2CCCCC2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HTT P42858 2/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 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
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4970048 0.76 USP2 (0.34) CYP2D6CYP2C9PTPN5PTPN2
SCHEMBL4971514 0.76 HTT (0.44) CXCR2HTTKMT2AMEN1L3MBTL1
SCHEMBL4968336 0.76 HTT (0.44) HTTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL10358603 0.74 CA1 (0.47) HTTKMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL10359119 0.74 ALDH1A1 (0.44) CXCR2HTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4969948 0.74 CXCR2 (0.45) CXCR2HTTKMT2AALDH1A1MEN1
SCHEMBL4897496 0.74 CA1 (0.47) HTTKMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL4968629 0.73 GABRA1 (0.46) CXCR2TAS1R3TAS1R1HTTKMT2A
SCHEMBL4968079 0.72 ALDH1A1 (0.46) CXCR2HTTKMT2AALDH1A1MEN1
SCHEMBL10359696 0.72 HTT (0.51) TAS1R3TAS1R1HTTKMT2AALDH1A1

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 CXCR2 1605/4885TAS1R3 1025/4885TAS1R1 812/4885

“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.