SCHEMBL709556

SCHEMBL709556

CS(=O)(=O)c1cccc(C(=O)c2cc(CC(=O)O)cc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.43
AKR1B1 P15121 2/20 0.42
VNN1 O95497 5/20 0.40
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
F7 P08709 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL709618 0.88 AKR1B1 (0.44) PTGDR2AKR1B1
SCHEMBL710345 0.87 PTGDR2 (0.43) ALDH1A1GAAHSD17B10PTGDR2VNN1
SCHEMBL709278 0.87 PTGDR2 (0.56) ALDH1A1GAAHSD17B10PTGDR2VNN1
SCHEMBL709656 0.82 PTGS1 (0.46) ALDH1A1GAAHSD17B10PTGDR2VNN1
SCHEMBL712595 0.79 CA2 (0.49) AKR1B1KMT2A
SCHEMBL709649 0.78 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10AKR1B1KMT2A
SCHEMBL707811 0.74 PTGDR2 (0.43) PTGDR2AKR1B1KMT2A
Methylphenylsulfone SCHEMBL28087038 0.74 CDC25B (0.53) ALDH1A1GAAHSD17B10KMT2A
SCHEMBL709910 0.74 PTGDR2 (0.54) HSD17B10PTGDR2
SCHEMBL710713 0.74 PTGDR2 (0.47) HSD17B10PTGDR2

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 14 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 claimed
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN claimed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP claimed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US claimed
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
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN 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 ALDH1A1 754/4885GAA 678/4885HSD17B10 1551/4885

“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.