Sugi Predict

Sugi Predict / Compounds / SCHEMBL442742

SCHEMBL442742

SCHEMBL442742

COc1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TPMT P51580 2/20 0.39
▸ NMT1 P30419 1/20 0.38
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ TAS1R2 Q8TE23 3/20 0.37
▸ HPGD P15428 2/20 0.36
▸ DBH P09172 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35

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
SCHEMBL931631 0.86 POLB (0.44) ALDH1A1KDM4EGAACA2CA4
SCHEMBL21823580 0.84 TPMT (0.55) ALDH1A1KDM4EGAACA2CA4
SCHEMBL20523636 0.84 GAA (0.41) ALDH1A1KDM4EGAACA2CA4
SCHEMBL30015664 0.84 HSD17B10 (0.35) ALDH1A1KDM4EGAACA2CA4
SCHEMBL15271622 0.84 ACLY (0.41) ALDH1A1KDM4EGAACA2CA4
SCHEMBL31069486 0.84 GAA (0.41) ALDH1A1KDM4EGAACA2CA4
SCHEMBL3753027 0.81 ACHE (0.52) ALDH1A1KDM4EGAAHSD17B10TPMT
SCHEMBL3993269 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHSD17B10TPMT
SCHEMBL16005123 0.80 ERN1 (0.50) ALDH1A1KDM4EGAACA2HSD17B10
SCHEMBL31260588 0.80 SRC (0.37) ALDH1A1KDM4EGAACA2CA4

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6025063-A — — None — — JP disclosed
CN-118439991-B RBJ small molecule inhibitors 中国医学科学院基础医学研究所 2025-01-28 — — CN disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US disclosed
CN-118439991-A RBJ small molecule inhibitors 中国医学科学院基础医学研究所 2024-08-06 — — CN disclosed
US-20230399289-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 — — US disclosed
EP-2782448-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-08-16 — — EP disclosed
EP-2782448-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-08-16 — — EP disclosed
CN-104039149-B Boron-containing small molecules 安纳考尔医药公司 2016-11-16 — — CN disclosed
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-01-07 — — US disclosed
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-01-07 — — US disclosed
EP-1587821-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING The Scripps Research Institute (US) 2005-10-26 — — EP disclosed
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2004-08-12 — — US disclosed
US-20040152140-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE 2004-08-05 — — US disclosed
WO-2004056315-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-08 — — WO disclosed
US-6677488-B2 AS AN EXAMPLE, 4-(4,5-DIFLUORO-2-(3-CHLORO-4-FLUOROPHENYL) PHENYLBENZENESULFONAMIDE; ANTIARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; PROSTAGLANDIN INHIBITORS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2004-01-13 — — US disclosed
US-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-11-14 — — US disclosed
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 — — EP disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 — — EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 — — WO disclosed
JP-H0625063-A PHENOXYBENZENE DERIVATIVE AND ITS PRODUCTION FUJI KAGAKU KOGYO KK 1994-02-01 — — JP 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 (5 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-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 ALDH1A1 241/4885KDM4E 2550/4885GAA 3646/4885
US-20160000813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 ALDH1A1 4360/4885KDM4E 2143/4885GAA 234/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 ALDH1A1 241/4885KDM4E 2550/4885GAA 3646/4885
US-20230399289-A1 ITACONIC ACID DERIVATIVES IL1R1, LRBA, HCAR1 ALDH1A1 28/4885KDM4E 3316/4885GAA 1434/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ALDH1A1 4472/4885KDM4E 3586/4885GAA 3046/4885

“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.