SCHEMBL15725232

SCHEMBL15725232

O=C(CC1CCCO1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)CC4CCCO4)s3)C2)s1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.63
▸ GLS O94925 9/20 0.57
▸ PKM P14618 1/20 0.54
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL15725047 1.00 ALDH1A1 (0.63) ALDH1A1GLSPKMMEN1KMT2A
SCHEMBL15725018 0.82 ALDH1A1 (0.75) ALDH1A1GLSMEN1KMT2ATSHR
SCHEMBL15725109 0.82 ALDH1A1 (0.75) ALDH1A1GLSMEN1KMT2ATSHR
SCHEMBL15725103 0.78 GLS (0.65) ALDH1A1GLSMEN1KMT2ATSHR
SCHEMBL20828251 0.78 GLS (0.65) ALDH1A1GLSMEN1KMT2ATSHR
SCHEMBL15725013 0.78 GLS (0.65) ALDH1A1GLSMEN1KMT2ATSHR
SCHEMBL15725101 0.76 ALDH1A1 (0.64) ALDH1A1GLSMEN1KMT2ATSHR
SCHEMBL15725005 0.76 ALDH1A1 (0.64) ALDH1A1GLSMEN1KMT2ATSHR
SCHEMBL15725040 0.75 GLS (0.61) ALDH1A1GLSMEN1KMT2ATSHR
SCHEMBL20825378 0.75 ALDH1A1 (0.62) ALDH1A1GLSMEN1KMT2ATSHR

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 11 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
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 — — EP disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 — — US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 — — US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
WO-2014079136-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO disclosed
WO-2014079150-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — 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 (4 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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL ALDH1A1 196/4885GLS 1/4885PKM 245/4885
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL ALDH1A1 444/4885GLS 1/4885PKM 274/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL ALDH1A1 444/4885GLS 1/4885PKM 274/4885
US-10689375-B2 Compounds and their methods of use GLS, GLS2, GLUL ALDH1A1 444/4885GLS 1/4885PKM 274/4885

“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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