SCHEMBL2276009

SCHEMBL2276009

Cn1cc(C(=O)O)c(=O)c2ccc(CN(c3ncc[nH]3)C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.38
S1PR3 Q99500 2/20 0.37
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL2276835 0.90 P2RX3 (0.40) S1PR1S1PR3ALDH1A1LMNA
SCHEMBL4388255 0.71 S1PR1 (0.40) S1PR1S1PR3NPC1RAB9ALMNA
SCHEMBL7055717 0.70 S1PR1 (0.41) S1PR1S1PR3ALDH1A1NPC1RAB9A
SCHEMBL5969688 0.69 S1PR1 (0.40) S1PR1S1PR3LMNA
SCHEMBL10474583 0.65 CAPN1 (0.65) S1PR1S1PR3LMNA
SCHEMBL13798311 0.64 LMNA (0.50) S1PR1ALDH1A1RAB9ALMNA
SCHEMBL10631698 0.64 ALDH1A1 (0.52) S1PR1S1PR3ALDH1A1LMNA
SCHEMBL398161 0.64 POLB (0.61) ALDH1A1NPC1RAB9ALMNA
SCHEMBL30421484 0.64 POLB (0.61) ALDH1A1NPC1RAB9ALMNA
SCHEMBL14019746 0.64 ITGB3 (0.50) S1PR1S1PR3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
EP-2094311-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2009-09-02 EP disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US disclosed
WO-2008070291-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2008-06-12 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-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS LDLR, HDLBP, FABP1 S1PR1 259/4885S1PR3 272/4885ALDH1A1 3313/4885

“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.