SCHEMBL20825378

SCHEMBL20825378

CC(=O)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)CCC(=O)Nc4nnc([C@H]5CCC[C@H](c6nnc(NC(C)=O)s6)C5)s4)s3)C2)s1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ TSHR P16473 1/20 0.62
▸ GLS O94925 8/20 0.61
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ RECQL P46063 1/20 0.54

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
SCHEMBL15724981 0.92 ALDH1A1 (0.61) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL15724982 0.92 ALDH1A1 (0.61) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL17177109 0.92 ALDH1A1 (0.61) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL15725005 0.88 ALDH1A1 (0.64) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL15725101 0.88 ALDH1A1 (0.64) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL15725013 0.85 GLS (0.65) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL15725103 0.85 GLS (0.65) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL20828251 0.85 GLS (0.65) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL15725108 0.85 GLS (0.59) ALDH1A1TSHRGLSMEN1KMT2A
SCHEMBL15725029 0.85 GLS (0.59) ALDH1A1TSHRGLSMEN1KMT2A

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-10689375-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-06-23 — — US disclosed
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2019-03-21 — — 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-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL ALDH1A1 444/4885TSHR 4360/4885GLS 1/4885
US-10689375-B2 Compounds and their methods of use GLS, GLS2, GLUL ALDH1A1 444/4885TSHR 4360/4885GLS 1/4885

“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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