SCHEMBL20715719

SCHEMBL20715719

CCCc1ccc(NC(=O)[C@@H](N)CC(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.59
▸ SPHK2 Q9NRA0 1/20 0.56
▸ S1PR1 P21453 6/20 0.52
▸ S1PR3 Q99500 6/20 0.52
▸ S1PR4 O95977 5/20 0.52
▸ S1PR5 Q9H228 5/20 0.52
▸ S1PR2 O95136 2/20 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
SCHEMBL19234502 0.88 CRHBP (0.51) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL24324831 0.86 SPHK1 (0.61) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL19375764 0.83 SPHK1 (0.49) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL20715718 0.82 GAA (0.55) SPHK1SPHK2
SCHEMBL21206985 0.81 SPHK1 (0.59) SPHK1SPHK2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL21724243 0.80 LTA4H (0.51) SPHK1SPHK2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL21724241 0.80 LTA4H (0.51) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL24324832 0.79 SPHK1 (0.64) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL6291030 0.78 LTA4H (0.45) SPHK1SPHK2S1PR1S1PR3
SCHEMBL14349974 0.78 SPHK1 (0.56) SPHK1SPHK2

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-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same CDRD VENTURES INC. (CA) 2022-03-22 — — US disclosed
US-20190040102-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2019-02-07 — — 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 (2 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-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same GPR119, SSTR5, SSTR2 SPHK1 405/4885SPHK2 366/4885S1PR1 174/4885
US-20190040102-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 SPHK1 405/4885SPHK2 366/4885S1PR1 174/4885

“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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