SCHEMBL1858019

SCHEMBL1858019

CC(C)(C)C(N(C(=O)O)c1cccc(C#CCBr)c1)=S(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.33
ALOX5 P09917 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL1857440 0.89 FFAR1 (0.33) FFAR1ALOX5CRHBPCRHR2HAO1
SCHEMBL1859462 0.85 GABRP (0.32) FFAR1ALOX5PTGES
SCHEMBL1860215 0.77 MTNR1A (0.39) CRHBPCRHR2MEN1CYP3A4CYP2C9
SCHEMBL1866010 0.74 MMP2 (0.40) FFAR1ALOX5PTGES
SCHEMBL4015483 0.73 ALOX5 (0.33) FFAR1ALOX5PTGES
SCHEMBL1858896 0.71 CES2 (0.36) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1855708 0.69
SCHEMBL1858051 0.69 MEN1 (0.33) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1860643 0.68
SCHEMBL1856245 0.66 CRHBP (0.46) CRHBPCRHR2CYP2C19KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS FFAR1 1990/4885ALOX5 1605/4885CRHBP 4401/4885

“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.