SCHEMBL709670

SCHEMBL709670

Cc1cc(S(C)(=O)=O)ccc1CCl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
G6PD P11413 1/20 0.38
IDE P14735 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
PTGS2 P35354 3/20 0.38
ENPP2 Q13822 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL12560649 0.84 BRD4 (0.46) LMNATDP1PTGDR2G6PDIDE
SCHEMBL29093586 0.83 ALDH1A1 (0.40) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1940207 0.81 LMNA (0.38) LMNATDP1PTGDR2G6PDIDE
SCHEMBL15486517 0.81 LOX (0.44) LMNATDP1PTGDR2G6PDIDE
SCHEMBL710400 0.81 PTGDR2 (0.43) LMNATDP1PTGDR2G6PDIDE
SCHEMBL8018423 0.81 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPTGDR2PTGS2
SCHEMBL16434137 0.79 PTGS2 (0.45) ALDH1A1MAPTLMNAPTGDR2SMN1; SMN2
SCHEMBL30721131 0.79 PTGS2 (0.45) ALDH1A1MAPTLMNAPTGDR2SMN1; SMN2
SCHEMBL12226960 0.78 ENPP2 (0.39) LMNAPTGDR2BRD4PTGS2ENPP2
SCHEMBL25735735 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTLMNATDP1PTGDR2

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 3 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
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 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-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 ALDH1A1 754/4885MAPT 4559/4885LMNA 1330/4885

“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.