SCHEMBL17382647

SCHEMBL17382647

CCCCCCC(CCSCc1ccccc1)SCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.41
▸ CYP2C19 P33261 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ DNM1 Q05193 2/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PKM P14618 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
SCHEMBL10307812 0.98 CSNK1E (0.39) CSNK1ECYP2C19CNR2CYP1A2CYP3A4
SCHEMBL38656325 0.88 CYP2C19 (0.34) CSNK1ECYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL38655757 0.85 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38655867 0.85 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38657147 0.85 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13333135 0.85 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38657158 0.85 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38656730 0.85 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21246240 0.85 MAOA (0.40) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38657408 0.85 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188726-B1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS INC (US) 2019-08-07 — — EP disclosed
US-20190119309-A1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS, INC. 2019-04-25 — — US disclosed
US-10179796-B2 Pharmaceutical compounds RAFAEL PHARMACEUTICALS, INC. (US) 2019-01-15 — — US disclosed
US-20170217998-A1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
US-20170217998-A1 PHARMACEUTICAL COMPOUNDS RAFAEL PHARMACEUTICALS, INC. 2017-08-03 — — US disclosed
WO-2015195071-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 (3 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-20170217998-A1 PHARMACEUTICAL COMPOUNDS SLC27A1, LIPA, ALOX12 CSNK1E 4838/4885CYP2C19 1175/4885CNR2 742/4885
US-10179796-B2 Pharmaceutical compounds SLC27A1, LIPA, ALOX12 CSNK1E 4838/4885CYP2C19 1175/4885CNR2 742/4885
US-20190119309-A1 PHARMACEUTICAL COMPOUNDS SLC27A1, LIPA, ALOX12 CSNK1E 4838/4885CYP2C19 1175/4885CNR2 742/4885

“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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