SCHEMBL4333048

SCHEMBL4333048

Clc1ccc(C#CCBr)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
IDO1 P14902 3/20 0.36
TSHR P16473 5/20 0.35
CYP3A4 P08684 4/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 3/20 0.35
AHR P35869 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 3/20 0.32
HIF1A Q16665 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20595717 0.80 PGK1 (0.43) TP53IDO1TSHRCYP3A4HSD17B10
SCHEMBL9083244 0.77 PGK1 (0.46) TP53IDO1TSHRCYP3A4HSD17B10
SCHEMBL8302074 0.75 KCNH2 (0.44) IDO1TSHRALDH1A1PTGDR2
SCHEMBL6297668 0.74 PGK1 (0.48) TP53IDO1TSHRCYP3A4HSD17B10
SCHEMBL6141312 0.72 TP53 (0.44) TP53IDO1TSHRCYP3A4HSD17B10
SCHEMBL2081610 0.71 PTGDR2 (0.45) TP53TSHRCYP3A4HSD17B10MAPK1
SCHEMBL2432676 0.70 LMNA (0.46) CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2462934 0.68 TP53 (0.39) TP53IDO1TSHRCYP3A4HSD17B10
SCHEMBL18245187 0.67 TP53 (0.48) TP53IDO1TSHRCYP3A4HSD17B10
SCHEMBL2783347 0.67 TP53 (0.48) TP53IDO1TSHRCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 TP53 4574/4885IDO1 1812/4885TSHR 532/4885

“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.