SCHEMBL21375672

SCHEMBL21375672

COCc1nn2c(C(F)(F)F)cc(OC)cc2c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 5/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CYP3A4 P08684 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ F2 P00734 1/20 0.36
▸ GLA P06280 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ GRM8 O00222 1/20 0.34
▸ GRM7 Q14831 1/20 0.34
▸ KPNA2 P52292 1/20 0.34

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
SCHEMBL1662907 0.83 ALDH1A1 (0.48) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL1663125 0.72 ALDH1A1 (0.40) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL1664597 0.72 ALDH1A1 (0.43) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL1662993 0.68 ALDH1A1 (0.47) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL1663371 0.68 EGFR (0.43) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL21358820 0.67 CYP1A2 (0.50) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL1664501 0.65 MAPT (0.39) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL1663018 0.64 CASP1 (0.49) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL1662834 0.64 KDM4E (0.48) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL1664651 0.63 ALDH1A1 (0.44) KDM4EALDH1A1HPGDCASP1HSD17B10

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-10730874-B2 Inhibitors of plasma kallikrein and uses thereof SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-08-04 — — US disclosed
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 — — 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-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KDM4E 738/4885ALDH1A1 3157/4885HPGD 604/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KDM4E 738/4885ALDH1A1 3157/4885HPGD 604/4885

“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.

Send feedback