SCHEMBL18957080

SCHEMBL18957080

CCC(=O)NC1Cc2cccc(C(=O)OCOC(=O)C3CCC3)c2OB1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL18957079 1.00 TDP1 (0.39) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL18957272 0.98 TDP1 (0.41) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL18957270 0.98 TDP1 (0.41) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL23129642 0.97 TDP1 (0.40) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL17347701 0.97 TDP1 (0.40) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL18957334 0.97 TDP1 (0.36) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL18957333 0.97 TDP1 (0.36) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL17347749 0.90 TDP1 (0.39) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL23129881 0.90 TDP1 (0.39) TDP1MEN1KMT2AMAPTMTNR1A
SCHEMBL23129978 0.88 TDP1 (0.37) TDP1MEN1KMT2AMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 — — US disclosed
US-20180291039-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-11 — — US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 — — 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 (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-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TDP1 1647/4885MEN1 4336/4885KMT2A 915/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TDP1 1647/4885MEN1 4336/4885KMT2A 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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