SCHEMBL3480035

SCHEMBL3480035

COCOc1ccc(C(=O)O)cc1OCOC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
EGFR P00533 1/20 0.55
POLB P06746 1/20 0.54
CASP6 P55212 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
HTT P42858 3/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 3/20 0.50

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
SCHEMBL3480458 0.98 TSHR (0.61) TSHRCA12CA1CA2CA4
SCHEMBL3046092 0.93 CA12 (0.71) TSHRCA12CA1CA2CA4
SCHEMBL6568030 0.93 TSHR (0.73) TSHRCA12CA1CA2CA4
SCHEMBL2311102 0.88 ALDH1A1 (0.60) TSHRPOLBCASP6ALDH1A1PLA2G4B
SCHEMBL1629306 0.86 EGFR (0.52) TSHRCA12CA1CA2CA4
SCHEMBL27051674 0.86 RXRA (0.50) TSHRCA12CA1CA2CA4
SCHEMBL25288063 0.85 TSHR (0.55) TSHRCA12CA1CA2CA4
SCHEMBL31383719 0.85 TSHR (0.55) TSHRCA12CA1CA2CA4
SCHEMBL7935201 0.85 EGFR (0.51) TSHRCA12CA1CA2CA4
SCHEMBL10200417 0.85 EGFR (0.51) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 US disclosed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 TSHR 3986/4885CA12 4357/4885CA1 4284/4885

“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.