SCHEMBL15845679

SCHEMBL15845679

Cc1cc(C(=O)O)sc1-c1cc(OCOCC[Si](C)(C)C)c2ncn(COCC[Si](C)(C)C)c(=O)c2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ TEK Q02763 1/20 0.32
▸ DGAT1 O75907 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL15845887 0.93 DGAT1 (0.34) PTPN1EGFRIGF1RSRCFLT4
SCHEMBL15845911 0.89 BRD4 (0.36) EGFRIGF1RSRCFLT4KDR
SCHEMBL15846482 0.88 TSHR (0.36) EGFRIGF1RSRCFLT4KDR
SCHEMBL15845841 0.82 NPC1 (0.38) EGFRIGF1RSRCFLT4KDR
SCHEMBL17391748 0.81 NPC1 (0.33) EGFRIGF1RSRCFLT4KDR
SCHEMBL15859688 0.80 EGFR (0.39) EGFRIGF1RSRCFLT4KDR
SCHEMBL17391750 0.80 F2RL3 (0.34) EGFRIGF1RSRCFLT4KDR
SCHEMBL15846275 0.80 F2RL3 (0.34) EGFRIGF1RSRCFLT4KDR
SCHEMBL15846413 0.79 EIF4EBP1 (0.42) —
SCHEMBL17391755 0.79 PTPN11 (0.37) EGFRIGF1RSRCFLT4KDR

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-9656971-B2 COMT inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-05-23 — — US disclosed
EP-2938600-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2017-01-25 — — EP disclosed
US-20160002177-A1 COMT INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
EP-2938600-A1 COMT INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-11-04 — — EP disclosed
WO-2014102233-A1 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-03 — — 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-20160002177-A1 COMT INHIBITORS COMT, PNMT, SLC6A3 PTPN1 2317/4885EGFR 4189/4885IGF1R 4261/4885

“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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