SCHEMBL2174540

SCHEMBL2174540

CCOC(=O)C=Cc1cc2ccc(F)cc2c(Oc2ccc(S(=O)(=O)CC)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.39
AKR1B1 P15121 1/20 0.39
ESR1 P03372 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B1 P14061 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B2 P37059 1/20 0.37
PKM P14618 1/20 0.37
EPAS1 Q99814 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL2174538 1.00 IDO1 (0.41) IDO1TDO2PTGDR2AKR1B1ESR1
SCHEMBL2173256 0.84 PTGDR2 (0.40) PTGDR2AKR1B1ESR1CYP1A2CYP2C19
SCHEMBL2174823 0.78 PTGDR2 (0.43) PTGDR2AKR1B1GAA
SCHEMBL2171442 0.77 PTGDR2 (0.59) PTGDR2
SCHEMBL2173397 0.75 PTGDR2 (0.49) PTGDR2AKR1B1
SCHEMBL2176235 0.75 PTGDR2 (0.49) PTGDR2AKR1B1
SCHEMBL2172859 0.71 PTGDR2 (0.57) PTGDR2
SCHEMBL2174122 0.69 PTGDR2 (0.55) PTGDR2
SCHEMBL3098069 0.69 CYP3A4 (0.42) IDO1TDO2CYP3A4CYP1A2CYP2D6
SCHEMBL3098078 0.69 CYP3A4 (0.42) IDO1TDO2CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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 (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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 IDO1 3614/4885TDO2 1055/4885PTGDR2 49/4885

“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.