SCHEMBL708417

SCHEMBL708417

CCOC(=O)Cc1cc(C(=O)c2ccc(S(=O)(=O)N3CCNCC3)cc2)c2cc(F)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.47
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 3/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL709916 0.91 CYP2C9 (0.52) PTGDR2NPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL710348 0.90 USP2 (0.55) PTGDR2NPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL27823482 0.88 PTGDR2 (0.44) PTGDR2CYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL710467 0.88 PTGDR2 (0.56) PTGDR2ALDH1A1MAPK8MAPK9MAPK10
Ethoxycarbonyl Group SCHEMBL27823477 0.86 PTGDR2 (0.50) PTGDR2CYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL709968 0.84 PTGDR2 (0.45) PTGDR2NPSR1CYP1A2CYP3A4HSD17B10
SCHEMBL708235 0.83 PTGDR2 (0.56) PTGDR2CYP1A2CYP2C19CYP2C9USP2
Tert-Butyl Formate SCHEMBL27823483 0.83 PTGDR2 (0.50) PTGDR2ALDH1A1MAPK8MAPK9MAPK10
SCHEMBL709881 0.79 PTGDR2 (0.58) PTGDR2CYP2C9USP2ALDH1A1LMNA
SCHEMBL709895 0.78 PTGDR2 (0.58) PTGDR2ALDH1A1GAAMEN1MAPT

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-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055005-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-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 PTGDR2 39/4885NPSR1 43/4885CYP1A2 215/4885

“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.