SCHEMBL23201068

SCHEMBL23201068

COc1c(Br)ccc(Cl)c1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TAS1R3 Q7RTX0 6/20 0.39
▸ TAS1R1 Q7RTX1 6/20 0.39
▸ TAS1R2 Q8TE23 4/20 0.36
▸ STAT3 P40763 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GRM6 O15303 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL18857933 0.85 ELANE (0.39) ALDH1A1KDM4EHSD17B10TSHRSTAT3
SCHEMBL21819596 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL18857935 0.81 DPP4 (0.38) ALDH1A1KDM4EHSD17B10TSHRSTAT3
SCHEMBL19682394 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10TSHRTAS1R3
SCHEMBL23200924 0.77 TSHR (0.46) ALDH1A1HSD17B10TSHRMAPTALOX15
SCHEMBL10773790 0.74 MEN1 (0.36) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL18675818 0.74 MTNR1A (0.39) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL23413883 0.73 SMPD1 (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL31535247 0.73 ALOX5AP (0.37) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL23200607 0.72 HSD17B10 (0.36) HSD17B10TSHRMAPTGRM6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 — — US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 — — US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 — — US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 — — EP disclosed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 — — CN 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ALDH1A1 2794/4885KDM4E 2087/4885HSD17B10 2285/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ALDH1A1 2794/4885KDM4E 2087/4885HSD17B10 2285/4885

“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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