SCHEMBL22693602

SCHEMBL22693602

COc1cc(OC)c(NC(=O)Cn2c(=O)n(CCCC(=O)NC3CCCC3)c(=O)c3ccccc32)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.70
CYP3A4 P08684 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.66
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.60
TP53 P04637 2/20 0.59

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
SCHEMBL3312852 0.92 S1PR2 (0.80) S1PR2CYP3A4CYP2C19TSHRKMT2A
SCHEMBL22693599 0.91 S1PR2 (0.57) S1PR2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL3311240 0.88 S1PR2 (0.83) S1PR2MAPT
SCHEMBL3306628 0.87 S1PR2 (0.71) S1PR2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL14068491 0.86 S1PR2 (0.71) S1PR2CYP3A4CYP2C19TSHRKMT2A
SCHEMBL13332602 0.86 S1PR2 (0.79) S1PR2MAPT
SCHEMBL3310336 0.86 S1PR2 (0.79) S1PR2MAPT
SCHEMBL22693616 0.86 CYP3A4 (0.65) S1PR2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL22693559 0.86 S1PR2 (0.84) S1PR2MAPT
SCHEMBL13361516 0.85 KMT2A (0.72) S1PR2CYP3A4CYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-11-26 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-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF S1PR2, S1PR1, S1PR3 S1PR2 1/4885CYP3A4 4591/4885CYP2C19 4674/4885

“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.