SCHEMBL11997209

SCHEMBL11997209

CCCCCCCCCCc1ccc(C(=O)NC2(N)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 10/20 0.72
▸ SPHK2 Q9NRA0 3/20 0.72
▸ PLK1 P53350 1/20 0.55
▸ RARB P10826 4/20 0.52
▸ THRA P10827 2/20 0.52
▸ THRB P10828 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ RARA P10276 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HAO1 Q9UJM8 1/20 0.52

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
SCHEMBL11997208 1.00 SPHK1 (0.72) SPHK1SPHK2PLK1RARBTHRA
SCHEMBL11995976 0.84 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL11995978 0.84 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL11995974 0.84 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL18969845 0.84 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL11995980 0.84 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL11995982 0.84 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL18969858 0.83 SPHK1 (0.80) SPHK1SPHK2THRATHRB
SCHEMBL4824490 0.82 PLK1 (0.65) SPHK1SPHK2PLK1RARBTHRA
SCHEMBL9206725 0.82 PLK1 (0.65) SPHK1SPHK2PLK1RARBTHRA

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-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-23 — — 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 (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-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 SPHK1 2/4885SPHK2 1/4885PLK1 682/4885

“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.

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