SCHEMBL18966826

SCHEMBL18966826

CCCCCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CC(C)(F)F)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TRPA1 O75762 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL18966887 0.99 ALDH1A1 (0.42) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL18966889 0.99 ALDH1A1 (0.42) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL18966632 0.92 TSHR (0.40) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL18966638 0.91 ALDH1A1 (0.41) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL18966668 0.91 ALDH1A1 (0.41) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL18957357 0.91 TSHR (0.34) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL18957356 0.91 TSHR (0.34) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL17350006 0.90 TSHR (0.41) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL18957115 0.90 TSHR (0.35) TSHRTP53ALDH1A1KDM4EHSD17B10
SCHEMBL18957112 0.90 TSHR (0.35) TSHRTP53ALDH1A1KDM4EHSD17B10

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 TSHR 4759/4885CYP3A4 921/4885MAPK1 4548/4885

“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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