SCHEMBL18860892

SCHEMBL18860892

O=C(Cc1csc(N2CC(F)(F)C2)n1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4csc(N5CC(F)(F)C5)n4)nn3)C2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 9/20 0.47
▸ CTPS1 P17812 1/20 0.37
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KCNJ6 P48051 1/20 0.32
▸ KCNJ3 P48549 1/20 0.32

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
SCHEMBL18861522 0.85 GLS (0.47) GLSCTPS1MAPTKDM4EALDH1A1
SCHEMBL18861544 0.83 GLS (0.47) GLSCTPS1CCNE1CDK2HRH3
SCHEMBL18861483 0.83 GLS (0.47) GLSCTPS1CCNE1CDK2HRH3
SCHEMBL18860888 0.82 GLS (0.49) GLSCCNE1CDK2HRH3
SCHEMBL15752608 0.81 GLS (0.55) GLSMAPTALDH1A1PKM
SCHEMBL18861612 0.81 GLS (0.54) GLSCTPS1MAPTKDM4EALDH1A1
SCHEMBL18861595 0.80 GLS (0.51) GLSCCNE1CDK2MAPT
SCHEMBL18861468 0.80 GLS (0.47) GLSCCNE1CDK2
SCHEMBL18860893 0.79 GLS (0.56) GLSHRH3
SCHEMBL18861609 0.79 GLS (0.44) GLSMAPT

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 1/4885CTPS1 162/4885CCNE1 2109/4885
US-10000479-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885CTPS1 162/4885CCNE1 2109/4885

“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