Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806946

SCHEMBL2806946

SCHEMBL2806946

O=C(Cc1ccc(-c2ccccc2)cc1)c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 2/20 0.56
▸ CES1 P23141 2/20 0.55
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ PDPK1 O15530 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ MGAM O43451 1/20 0.43
▸ SI P14410 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
SCHEMBL165353 0.91 PLA2G4A (0.66) PLA2G4ACES1LMNATSHRPDPK1
SCHEMBL6177200 0.82 PLA2G4A (0.53) PLA2G4ACES1LMNAPTGS1MEN1
SCHEMBL15095300 0.82 PDPK1 (0.46) PLA2G4ACES1LMNAGAAABCC4
SCHEMBL15924406 0.79 PLA2G4A (0.58) PLA2G4ACES1LMNASMN1; SMN2NPC1
SCHEMBL2805831 0.79 PDPK1 (0.44) PLA2G4ACES1LMNAGAAABCC4
SCHEMBL2805828 0.79 PDPK1 (0.44) PLA2G4ACES1LMNAGAAABCC4
Biphenyl SCHEMBL18916766 0.79 ALDH1A1 (0.52) PLA2G4ACES1GAAKMT2APDPK1
Trifluoroacetic Acid SCHEMBL7448775 0.76 PLA2G4A (0.44) PLA2G4ACES1ALDH1A1
Biphenyl SCHEMBL1889248 0.76 BCAT2 (0.50) PLA2G4ACES1GAAPDPK1NPC1
SCHEMBL17371667 0.75 PLA2G4A (0.56) PLA2G4ACES1LMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — 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 (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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 PLA2G4A 1335/4885CES1 2814/4885LMNA 4752/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 PLA2G4A 926/4885CES1 2628/4885LMNA 4814/4885

“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.