SCHEMBL710400

SCHEMBL710400

Cc1cc(S(C)(=O)=O)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
PTGS2 P35354 6/20 0.43
ENPP2 Q13822 2/20 0.42
LMNA P02545 2/20 0.40
PNMT P11086 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
G6PD P11413 1/20 0.38
IDE P14735 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
SCHEMBL14524910 0.86 PTGS2 (0.49) PTGS2
SCHEMBL12226960 0.85 ENPP2 (0.39) PTGDR2PTGS2ENPP2LMNAPNMT
SCHEMBL1805465 0.85 ALDH1A1 (0.41) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL6123778 0.85 PTGS2 (0.43) PTGDR2PTGS2ENPP2LMNAPNMT
SCHEMBL12560649 0.84 BRD4 (0.46) PTGDR2PTGS2ENPP2LMNATDP1
SCHEMBL1808162 0.83 CA2 (0.50)
SCHEMBL1940207 0.81 LMNA (0.38) PTGDR2PTGS2ENPP2LMNATDP1
SCHEMBL709670 0.81 ALDH1A1 (0.41) PTGDR2PTGS2ENPP2LMNATDP1
SCHEMBL15486517 0.81 LOX (0.44) PTGDR2ENPP2LMNATDP1G6PD
SCHEMBL1044118 0.81 ENPP2 (0.47) PTGS2ENPP2LMNAPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-02-20 US disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO 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
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 (2 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 39/4885PTGS2 479/4885ENPP2 16/4885
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF SULT1E1, TPMT, SULT1A1 PTGDR2 2077/4885PTGS2 2323/4885ENPP2 4831/4885

“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.