SCHEMBL2787596

SCHEMBL2787596

COc1ccc(C(=O)O)cc1B1OC2CC3CC(C3(C)C)C2(C)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 9/20 0.45
▸ CXCR2 P25025 1/20 0.44
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ TPMT P51580 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ F2 P00734 4/20 0.38
▸ PRSS1 P07477 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ PGR P06401 1/20 0.37

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
SCHEMBL2786860 0.88 CXCR2 (0.43) PREPCXCR2F2PRSS1PSEN1
SCHEMBL23200864 0.81 PREP (0.43) PREPCXCR2F2PRSS1PSEN1
SCHEMBL23576452 0.77 PREP (0.41) PREPCXCR2F2PSEN1PSEN2
SCHEMBL20571080 0.76 PREP (0.44) PREPCXCR2F2PRSS1PSMB5
SCHEMBL21911461 0.76 PREP (0.44) PREPCXCR2F2PRSS1PSMB5
SCHEMBL4501623 0.73 CA12 (0.54) LMNAMAPK1HTTRAB9ACA12
SCHEMBL21012636 0.73 PREP (0.42) PREPCXCR2KMT2APSEN1PSEN2
SCHEMBL23200947 0.73 PREP (0.40) PREPCXCR2F2PRSS1PSMB5
SCHEMBL5899730 0.70 PREP (0.40) PREPCXCR2F2PSMB5
SCHEMBL21356873 0.70 PREP (0.48) PREPF2PRSS1PSEN1PSEN2

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-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 — — US disclosed
US-20100120715-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-05-13 — — 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 (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-20100120715-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB PREP 209/4885CXCR2 4511/4885LMNA 1592/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB PREP 209/4885CXCR2 4511/4885LMNA 1592/4885

“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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