SCHEMBL17347803

SCHEMBL17347803

CCC(=O)N[C@H]1Cc2cc(Cl)cc(C(=O)O)c2OB1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EZH2 Q15910 1/20 0.32
▸ MTNR1A P48039 3/20 0.31
▸ MTNR1B P49286 3/20 0.31
▸ CYP11B1 P15538 3/20 0.31
▸ CYP11B2 P19099 3/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL23130024 1.00 MEN1 (0.36) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL17347654 0.91 MTNR1A (0.33) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL17347839 0.90 MEN1 (0.32) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL17347764 0.88 EZH2 (0.30) EZH2
SCHEMBL17347804 0.87 KDM4E (0.35) KDM4EEZH2HSD17B10CYP3A4
SCHEMBL23129933 0.87 KDM4E (0.35) KDM4EEZH2HSD17B10CYP3A4
SCHEMBL23130032 0.87 ALDH1A1 (0.34) ALDH1A1KMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL17347677 0.87 ALDH1A1 (0.34) ALDH1A1KMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL17347821 0.86 PARP1 (0.38) MEN1ALDH1A1KMT2AKDM4EMTNR1A
SCHEMBL23837408 0.86 KDM4E (0.34) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008346-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-05-18 — — US disclosed
EP-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
US-20200361962-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 — — US disclosed
US-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 — — US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 — — US disclosed
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 — — US disclosed
US-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 — — US disclosed
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 — — US disclosed
US-20160264598-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 — — US disclosed
WO-2015191907-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2015-12-17 — — 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 (5 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-11008346-B2 Beta-lactamase inhibitors MGAM, GAA, LCT MEN1 4336/4885ALDH1A1 305/4885KMT2A 915/4885
US-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MEN1 4336/4885ALDH1A1 305/4885KMT2A 915/4885
US-20200361962-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MEN1 4336/4885ALDH1A1 305/4885KMT2A 915/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MEN1 4336/4885ALDH1A1 305/4885KMT2A 915/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MEN1 4336/4885ALDH1A1 305/4885KMT2A 915/4885

“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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