SCHEMBL18957256

SCHEMBL18957256

CC(F)(F)CCC(=O)NC1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.32
▸ PDK1 Q15118 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ MTNR1A P48039 2/20 0.31
▸ MTNR1B P49286 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ MAPT P10636 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
SCHEMBL18957253 1.00 PARP1 (0.32) PARP1PDK1PDK2PDK3PDK4
SCHEMBL17337169 0.92 NAMPT (0.38) PARP1NAMPTMAPT
SCHEMBL17337165 0.92 NAMPT (0.38) PARP1NAMPTMAPT
SCHEMBL17337295 0.91 PARP1 (0.31) PARP1MTNR1AMTNR1B
SCHEMBL17337292 0.91 PARP1 (0.31) PARP1MTNR1AMTNR1B
SCHEMBL22667280 0.91 PARP1 (0.31) PARP1MTNR1AMTNR1B
SCHEMBL18957145 0.91 PARP1 (0.32) PARP1
SCHEMBL18957148 0.91 PARP1 (0.32) PARP1
SCHEMBL18957153 0.91 NAMPT (0.38) PARP1NAMPTMAPT
SCHEMBL18966560 0.90 PARP1 (0.31) PARP1

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 PARP1 589/4885PDK1 2130/4885PDK2 2154/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT PARP1 589/4885PDK1 2130/4885PDK2 2154/4885

“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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