SCHEMBL2174245

SCHEMBL2174245

CCSc1ccc(SCC)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
SLC6A4 P31645 9/20 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
SCHEMBL12659908 0.78 NPC1 (0.50) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL10049917 0.78 MEN1 (0.42) RAB9ASMN1; SMN2LMNAKDM4ESLC6A4
SCHEMBL1492564 0.77 PIK3CD (0.47) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL2653607 0.77 GBA1 (0.46) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL850711 0.77 CHRNB2 (0.42) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL20448227 0.77 SLC6A4 (0.36) RAB9ASLC6A4MAOAGAA
SCHEMBL9330826 0.77 CHRNB2 (0.42) CHRNB2CHRNA4PIK3CDPIK3CAPIK3CB
SCHEMBL17688642 0.77 SLC6A4 (0.36) RAB9ASLC6A4MAOAGAA
SCHEMBL609195 0.77 KDM4E (0.53) PIK3CDRAB9ASMN1; SMN2KDM4ESLC6A4
SCHEMBL16676162 0.77 DGAT1 (0.41) PIK3CDLMNAALDH1A1MAPTSLC6A4

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 11 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
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
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-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
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US 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 CHRNB2 370/4885CHRNA4 333/4885PIK3CD 4480/4885

“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.