SCHEMBL21206985

SCHEMBL21206985

CCCc1ccc(NC(=O)C(C)N)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.59
▸ TAAR1 Q96RJ0 1/20 0.57
▸ SPHK2 Q9NRA0 1/20 0.55
▸ LTA4H P09960 1/20 0.54
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ S1PR1 P21453 3/20 0.50
▸ S1PR3 Q99500 3/20 0.50
▸ S1PR4 O95977 2/20 0.50
▸ S1PR5 Q9H228 2/20 0.50
▸ S1PR2 O95136 1/20 0.50

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
SCHEMBL24324832 0.87 SPHK1 (0.64) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL14349974 0.86 SPHK1 (0.56) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL11646041 0.83 SPHK1 (0.60) SPHK1SPHK2LTA4HNPC1RAB9A
SCHEMBL11644855 0.83 SPHK1 (0.60) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL17823132 0.83 TAAR1 (0.60) SPHK1TAAR1SPHK2LTA4HSMN1; SMN2
SCHEMBL19358957 0.83 TAAR1 (0.60) SPHK1TAAR1LTA4HSMN1; SMN2
SCHEMBL17823130 0.83 TAAR1 (0.60) SPHK1TAAR1SPHK2LTA4HSMN1; SMN2
SCHEMBL5551584 0.82 SPHK1 (0.51) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL11647047 0.82 CA12 (0.61) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL20715719 0.81 SPHK1 (0.59) SPHK1SPHK2S1PR1S1PR3S1PR4

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-10759785-B2 Compounds Enterprise Therapeutics Limited (GB) 2020-09-01 — — US disclosed
EP-3472154-B1 COMPOUNDS ENTERPRISE THERAPEUTICS LTD (GB) 2020-08-12 — — EP disclosed
US-20190233402-A1 COMPOUNDS Enterprise Therapeutics Limited (GB) 2019-08-01 — — 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-20190233402-A1 COMPOUNDS CFTR, NHERF1, SCNN1A SPHK1 2858/4885TAAR1 1334/4885SPHK2 3409/4885
US-10759785-B2 Compounds CFTR, NHERF1, SCNN1A SPHK1 2858/4885TAAR1 1334/4885SPHK2 3409/4885

“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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