SCHEMBL17349751

SCHEMBL17349751

CCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)Cc1cccs1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HSD17B10 Q99714 4/20 0.46
▸ TSHR P16473 4/20 0.46
▸ POLB P06746 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ PDE4D Q08499 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17349747 0.91 MEN1 (0.44) NPC1RAB9AHSD17B10TSHRPOLB
SCHEMBL17349745 0.91 POLB (0.44) NPC1RAB9AHSD17B10TSHRPOLB
SCHEMBL17349761 0.90 NPC1 (0.38) NPC1RAB9AHSD17B10TSHRPOLB
SCHEMBL17349760 0.88 RAB9A (0.37) NPC1RAB9AHSD17B10TSHRPOLB
SCHEMBL17337369 0.87 TSHR (0.40) HSD17B10TSHRMAPTALDH1A1HPGD
SCHEMBL17337367 0.87 TSHR (0.40) HSD17B10TSHRMAPTALDH1A1HPGD
SCHEMBL17350005 0.87 TSHR (0.49) NPC1RAB9AHSD17B10TSHRMAPT
SCHEMBL17349850 0.87 TSHR (0.41) RAB9ATSHRALDH1A1HPGDMEN1
SCHEMBL17349995 0.86 TP53 (0.34) NPC1RAB9AHSD17B10TSHRPOLB
SCHEMBL17349949 0.86 TSHR (0.39) HSD17B10TSHRMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-17 — — US 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-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS SI, ALPI, GAA NPC1 2158/4885RAB9A 1272/4885HSD17B10 769/4885

“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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