SCHEMBL17381511

SCHEMBL17381511

O=C(CCCCC(CCSCc1ccccc1)SCc1ccccc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CDC25B P30305 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ PPARA Q07869 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CASP1 P29466 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MGLL Q99685 1/20 0.36

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
SCHEMBL22299027 0.95 CYP2C19 (0.44) CYP2C19ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL13333203 0.86 CYP2C19 (0.46) CYP2C19ALDH1A1MAPK1L3MBTL1PPARG
Cpi 613 SCHEMBL1062218 0.84 CYP2C19 (0.59) CYP2C19ALDH1A1MAPK1LMNAHPGD
Cpi 613 SCHEMBL13333201 0.84 CYP2C19 (0.59) CYP2C19ALDH1A1MAPK1LMNAHPGD
SCHEMBL20819171 0.84 PPARG (0.42) CYP2C19ALDH1A1EPHX2PPARAPPARG
SCHEMBL20819168 0.84 PPARG (0.42) CYP2C19ALDH1A1EPHX2PPARAPPARG
SCHEMBL22912360 0.84 CYP2C19 (0.46) CYP2C19ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL22299081 0.83 CYP2C19 (0.58) CYP2C19ALDH1A1MAPK1LMNAHPGD
SCHEMBL17381514 0.83 CYP2C19 (0.58) CYP2C19ALDH1A1MAPK1LMNAHPGD
SCHEMBL13333202 0.83 CYP2C19 (0.50) CYP2C19ALDH1A1LMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189033-B1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS INC (US) 2020-08-05 — — EP disclosed
US-10450337-B2 Pharmaceutical compounds RAFAEL PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20170218003-A1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20170218003-A1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
WO-2015195070-A1 PHARMACEUTICAL COMPOUNDS SHORR ROBERT (US) 2015-12-23 — — 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-20170218003-A1 PHARMACEUTICAL COMPOUNDS SLC27A1, LIPA, ALOX12 CYP2C19 1175/4885ALDH1A1 761/4885MAPK1 3590/4885
US-10450337-B2 Pharmaceutical compounds SLC27A1, LIPA, ALOX12 CYP2C19 1175/4885ALDH1A1 761/4885MAPK1 3590/4885

“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.

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