SCHEMBL21355063

SCHEMBL21355063

C=C(C(=O)OC)C(O)c1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.37
NPC1 O15118 6/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.35
S1PR4 O95977 3/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR2 O95136 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
FDPS P14324 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
S1PR1 P21453 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
SCHEMBL29301529 0.84 RAB9A (0.39) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL22615180 0.82 APLNR (0.43) MAPK1
SCHEMBL22615141 0.82 PTK2 (0.40) RAB9AS1PR4S1PR3S1PR2MEN1
SCHEMBL30189285 0.81 P2RX7 (0.33) MAPTMEN1KMT2A
SCHEMBL27972595 0.79 HDAC3 (0.39) NPC1LMNA
SCHEMBL27972604 0.78 KDM4E (0.38) KDM4EALDH1A1MAPTS1PR3SMN1; SMN2
SCHEMBL21355295 0.78 CACNA1G (0.40) KDM4ES1PR3SMN1; SMN2KMT2AS1PR1
SCHEMBL2002973 0.76 CYP1A2 (0.44) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL24586223 0.76 CYP3A4 (0.41) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL14915338 0.76 CYP3A4 (0.41) RAB9ANPC1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 US disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 EP disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 US disclosed
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
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO disclosed
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO disclosed
CN-103923105-A 2-indolizine formylamine compound as well as preparation method and application thereof UNIV BEIJING 2014-07-16 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 (6 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 RAB9A 3451/4885NPC1 2188/4885KDM4E 738/4885
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 RAB9A 3451/4885NPC1 2188/4885KDM4E 738/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 RAB9A 3451/4885NPC1 2188/4885KDM4E 738/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 RAB9A 3451/4885NPC1 2188/4885KDM4E 738/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 RAB9A 3451/4885NPC1 2188/4885KDM4E 738/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 RAB9A 3451/4885NPC1 2188/4885KDM4E 738/4885

“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.