SCHEMBL1134603

SCHEMBL1134603

COc1ccc(C=CC(=O)O)c(Br)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.54
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
NFE2L2 Q16236 2/20 0.49
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1B1 Q16678 2/20 0.48
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL1134602 1.00 ABCG2 (0.54) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30271935 1.00 ABCG2 (0.54) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30560976 0.85 ABCG2 (0.71) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL285232 0.85 ABCG2 (0.71) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL285231 0.85 ABCG2 (0.71) ABCG2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4665597 0.84 ABCG2 (0.69) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28957727 0.83 ABCG2 (0.55) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31501086 0.83 ABCG2 (0.55) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21317646 0.83 ABCG2 (0.55) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12672390 0.81 ABCG2 (0.54) ABCG2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425452-A1 ISOLATED TRANS ISOMER OF 3-(2-BROMO-3,4-DIHYDROXY-PHENYL)-N-(3,4,5-TRIHYDROXY-BENZYL)-THIOACRYLAMIDE TYRNOVO LTD. (IL) 2024-12-26 US disclosed
WO-2023079545-A1 ISOLATED TRANS ISOMER OF 3-(2-BROMO-3,4-DIHYDROXY-PHENYL)-N-(3,4,5-TRIHYDROXY-BENZYL)-THIOACRYLAMIDE TYRNOVO LTD. (IL) 2023-05-11 WO disclosed
CN-115466205-A Isolated trans isomer of 3- (2-bromo-3, 4-dihydroxy-phenyl) -N- (3, 4, 5-trihydroxy-benzyl) -thioacrylamide 特尔诺沃有限公司 2022-12-13 CN disclosed
EP-2285774-B1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING YISSUM RES DEV CO (IL) 2015-02-25 EP disclosed
US-8637575-B2 Modulators of protein kinase signaling NOVOTYR THERAPEUTICS LTD. (IL) 2014-01-28 US disclosed
US-8536227-B2 2013-09-17 US disclosed
US-20110105618-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING NOVOTYR THERAPEUTICS LTD. (IL) 2011-05-05 US disclosed
EP-2285774-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING Novotyr Therapeutics Ltd. (IL) 2011-02-23 EP disclosed
WO-2009147682-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING NOVOTYR THERAPEUTICS LTD. (IL) 2009-12-10 WO 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 (2 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-20110105618-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING MAP3K20, MAP3K1, MAP3K6 ABCG2 1622/4885KDM4E 1619/4885ALDH1A1 4678/4885
US-20240425452-A1 ISOLATED TRANS ISOMER OF 3-(2-BROMO-3,4-DIHYDROXY-PHENYL)-N-(3,4,5-TRIHYDROXY-BENZYL)-THIOACRYLAMIDE TOP2B, TERT, TAC3 ABCG2 203/4885KDM4E 2083/4885ALDH1A1 470/4885

“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.