SCHEMBL12869175

SCHEMBL12869175

CCCCCc1ccc(OCC(O)COCC(O)CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.58
▸ USP2 O75604 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ S1PR4 O95977 2/20 0.48
▸ S1PR5 Q9H228 2/20 0.48
▸ S1PR2 O95136 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ PLA2G4B P0C869 1/20 0.48
▸ AR P10275 1/20 0.47
▸ ADRB2 P07550 2/20 0.44
▸ ADRB1 P08588 1/20 0.43

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
SCHEMBL12442095 0.94 S1PR1 (0.64) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL6226494 0.93 S1PR1 (0.66) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL11359034 0.93 S1PR1 (0.66) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL11367486 0.93 S1PR1 (0.66) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL11362458 0.93 S1PR1 (0.66) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL10803483 0.93 S1PR1 (0.66) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL11355760 0.93 S1PR1 (0.66) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL1150684 0.93 S1PR1 (0.66) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL11980604 0.90 S1PR1 (0.58) S1PR1USP2KMT2AMAPK1MEN1
SCHEMBL12869174 0.86 AR (0.44) S1PR1ARADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431579-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-04-30 — — US disclosed
US-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-02-24 — — 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-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 S1PR1 868/4885USP2 2822/4885KMT2A 2570/4885

“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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