SCHEMBL16202259

SCHEMBL16202259

Cc1ccc(Oc2ccc(CCC(N)(CO)CO)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.67
S1PR3 Q99500 10/20 0.67
TNNC1 P63316 5/20 0.54
SGPL1 O95470 1/20 0.54
S1PR4 O95977 1/20 0.54
GPR183 P32249 1/20 0.54
CERS2 Q96G23 1/20 0.54
S1PR5 Q9H228 1/20 0.54
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47

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
SCHEMBL904106 0.90 S1PR1 (0.64) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL589369 0.85 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL565320 0.85 S1PR1 (0.60) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL14555240 0.84 S1PR1 (0.73) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL16202260 0.81 S1PR1 (0.55) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL16590221 0.80 S1PR1 (0.48) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL1687946 0.80 S1PR1 (0.53) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL1687940 0.80 S1PR1 (0.53) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL1687904 0.80 S1PR1 (0.53) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL14555248 0.80 S1PR1 (0.53) S1PR1S1PR3TNNC1SGPL1S1PR4

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-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-30 US disclosed
US-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-10-30 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-20140323501-A1 AMINO-PROPYLENE-GLYCOL DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION AND USE THEREOF AADAT, HPGDS, HLA-DRB1 S1PR1 1288/4885S1PR3 1875/4885TNNC1 1423/4885

“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.