SCHEMBL18861608

SCHEMBL18861608

CCC(=O)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)nn3)C2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 9/20 0.46
▸ HSD17B10 Q99714 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ HRH3 Q9Y5N1 3/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR1E P28566 1/20 0.31
▸ HTR1F P30939 1/20 0.31
▸ HTR6 P50406 1/20 0.31

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
SCHEMBL18861483 0.96 GLS (0.47) GLSTRPA1HRH3SMN1; SMN2CCNE1
SCHEMBL18861544 0.96 GLS (0.47) GLSTRPA1HRH3SMN1; SMN2CCNE1
SCHEMBL18861609 0.93 GLS (0.44) GLSSMN1; SMN2
SCHEMBL18860893 0.93 GLS (0.56) GLSTRPA1HRH3
SCHEMBL18861600 0.92 GLS (0.42) GLSTRPA1HRH3CCNE1CDK2
SCHEMBL17115623 0.86 GLS (0.39) GLS
SCHEMBL17115625 0.86 GLS (0.39) GLS
SCHEMBL18861607 0.86 GLS (0.39) GLSHRH3CCNE1CDK2GSK3B
SCHEMBL18861596 0.85 GLS (0.51) GLSHRH3SMN1; SMN2HTR1A
SCHEMBL18861467 0.84 GLS (0.48) GLSHRH3SMN1; SMN2CCNE1CDK2

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-10000479-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-06-19 — — US disclosed
US-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2017-05-18 — — 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-20170137414-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885HSD17B10 534/4885TRPA1 4879/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885HSD17B10 534/4885TRPA1 4879/4885

“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.

Send feedback