SCHEMBL904258

SCHEMBL904258

COc1ccc(SC)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 5/20 0.43
CYP1A1 P04798 5/20 0.43
CYP1B1 Q16678 5/20 0.43
TUBB1 Q9H4B7 3/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL1932921 0.83 GAA (0.46) ALDH1A1CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL10454729 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2TUBB1HPGDCYP2D6
SCHEMBL3511079 0.80 CYP1A1 (0.50) ALDH1A1CYP1A2CYP1A1CYP1B1GAA
SCHEMBL9203482 0.80 MAPT (0.38) ALDH1A1CYP1A2HPGDCYP2D6CYP2C19
SCHEMBL8391165 0.79 HTR2A (0.47) ALDH1A1TUBB1POLBL3MBTL1KMT2A
SCHEMBL31568147 0.79 AR (0.54) ALDH1A1CYP1A2TUBB1HPGDCYP2D6
SCHEMBL20745926 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2TUBB1HPGDCYP2D6
SCHEMBL2089252 0.77 CYP1A1 (0.44) ALDH1A1CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL6684382 0.77 L3MBTL1 (0.45) ALDH1A1CYP1A2CYP1A1CYP1B1TUBB1
SCHEMBL8392164 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A2TUBB1HPGDCYP2D6

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
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed
EP-2978754-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-10 EP disclosed
WO-2012041253-A1 COMPOUNDS FOR INCREASE OF HDL-C LEVEL AND USES THEREOF ZHEJIANG BETA PHARMA INC. (CN) 2012-04-05 WO disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US disclosed
US-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2005-10-27 US disclosed
EP-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 WO disclosed
EP-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 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-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives CYP2C9, CYP2C19, CNR1 ALDH1A1 586/4885CYP1A2 11/4885CYP1A1 7/4885

“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.