SCHEMBL18966638

SCHEMBL18966638

CCCCCCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CCC(C)(F)F)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TRPA1 O75762 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR1 P21554 3/20 0.33
▸ CNR2 P34972 3/20 0.33

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
SCHEMBL18966668 1.00 ALDH1A1 (0.41) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL18966632 0.99 TSHR (0.40) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL18966526 0.94 ALDH1A1 (0.42) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL21539563 0.94 ALDH1A1 (0.42) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL18966534 0.93 TSHR (0.41) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL18966617 0.92 ALDH1A1 (0.40) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL18966574 0.92 ALDH1A1 (0.40) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL18966887 0.92 ALDH1A1 (0.42) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL18966889 0.92 ALDH1A1 (0.42) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL18966594 0.92 TSHR (0.39) ALDH1A1TSHRLMNATP53CYP3A4

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 2 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
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 (1 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 ALDH1A1 305/4885TSHR 4759/4885LMNA 542/4885

“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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