SCHEMBL7367083

SCHEMBL7367083

CCCCN1CCCCC1CO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.56
SPHK1 Q9NYA1 5/20 0.56
S1PR1 P21453 3/20 0.52
S1PR3 Q99500 3/20 0.52
S1PR5 Q9H228 3/20 0.52
S1PR4 O95977 1/20 0.48
GBA2 Q9HCG7 7/20 0.47
OPRD1 P41143 1/20 0.45
GBA1 P04062 2/20 0.41
HSD17B10 Q99714 1/20 0.41
UGCG Q16739 2/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
AGL P35573 1/20 0.41

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
SCHEMBL23777202 1.00 SPHK2 (0.56) SPHK2SPHK1S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL27684543 0.98 SPHK2 (0.55) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL7270850 0.95 SPHK2 (0.58) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL23865736 0.95 SPHK2 (0.58) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL23866033 0.95 SPHK2 (0.58) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL11929540 0.94 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL11929539 0.94 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL1972036 0.94 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL11195122 0.93 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL11194154 0.93 SPHK2 (0.61) SPHK2SPHK1S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301192-A1 Inhibitors of Cyclin Kinase Inhibitor p21 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 US disclosed
EP-2275412-A1 Indole and benzimidazole derivatives Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-19 EP disclosed
WO-2001014381-A1 ETHER DERIVATIVES OF PYRROLO[1,2-A]QUINOXALINES, METHOD FOR PRODUCING THEM AND THEIR USE IN THERAPY UNIVERSITE DE CAEN BASSE-NORMANDIE (FR) 2001-03-01 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-20110301192-A1 Inhibitors of Cyclin Kinase Inhibitor p21 CDKN1A, CCNI, CDK2 SPHK2 772/4885SPHK1 1002/4885S1PR1 2314/4885

“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.