SCHEMBL1979048

SCHEMBL1979048

C[C@H](O)CN(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.30

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
SCHEMBL13731404 1.00 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1TP53
SCHEMBL1952760 1.00 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1TP53
SCHEMBL9129576 0.84 MEN1 (0.34) MEN1HTTKMT2AL3MBTL1
SCHEMBL20974178 0.84 MEN1 (0.34) MEN1HTTKMT2AL3MBTL1
SCHEMBL1980174 0.83 MEN1 (0.32) MEN1HTTKMT2AL3MBTL1
SCHEMBL18625549 0.80 TSHR (0.37) MEN1HTTKMT2AL3MBTL1
SCHEMBL1248340 0.80 GABRP (0.37) MEN1HTTKMT2AL3MBTL1
SCHEMBL203296 0.80 GABRP (0.37) MEN1HTTKMT2AL3MBTL1
SCHEMBL7437883 0.80 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL1979560 0.78 ALDH1A1 (0.32) MEN1HTTKMT2AL3MBTL1

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
EP-3224255-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 EP disclosed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 US disclosed
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 US disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 US disclosed
EP-3224255-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2017-10-04 EP disclosed
WO-2016083818-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 WO disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8440829-B2 PI3 kinase/mTOR dual inhibitor ELI LILLY AND COMPANY (US) 2013-05-14 US disclosed
US-20120184577-A1 PI3 KINASE/mTOR DUAL INHIBITOR ELI LILLY AND COMPANY (US) 2012-07-19 US disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO 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 (6 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-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 MEN1 816/4885HTT 1821/4885KMT2A 389/4885
US-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR MEN1 657/4885HTT 4277/4885KMT2A 4273/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP MEN1 2093/4885HTT 3800/4885KMT2A 2226/4885
US-20120184577-A1 PI3 KINASE/mTOR DUAL INHIBITOR MTOR, PIK3C2A, PIK3CD MEN1 2164/4885HTT 2536/4885KMT2A 1305/4885
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 MEN1 816/4885HTT 1821/4885KMT2A 389/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP MEN1 2093/4885HTT 3800/4885KMT2A 2226/4885

“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.