SCHEMBL24324832

SCHEMBL24324832

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.64
▸ SPHK2 Q9NRA0 1/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ S1PR1 P21453 3/20 0.48
▸ S1PR3 Q99500 3/20 0.48
▸ S1PR4 O95977 2/20 0.48
▸ S1PR5 Q9H228 2/20 0.48
▸ S1PR2 O95136 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL21206985 0.87 SPHK1 (0.59) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL19234510 0.87 SPHK1 (0.56) SPHK1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL26464767 0.84 SPHK1 (0.60) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL14349974 0.83 SPHK1 (0.56) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL20715479 0.83 MAPT (0.58) SPHK1NPC1RAB9ASMN1; SMN2
SCHEMBL20715478 0.83 MAPT (0.58) SPHK1NPC1RAB9ASMN1; SMN2
SCHEMBL5551584 0.79 SPHK1 (0.51) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL20715719 0.79 SPHK1 (0.59) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1313045 0.79 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1312105 0.79 SPHK1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2022-04-14 — — 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-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 SPHK1 424/4885SPHK2 378/4885NPC1 2014/4885

“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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