SCHEMBL23754134

SCHEMBL23754134

CCOC(=O)CCc1c(C(=O)OCC)n[nH]c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.50
KDM4E B2RXH2 5/20 0.49
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL508530 0.84 PDE4D (0.53) PDE4DKDM4EMAPK1SMN1; SMN2HPGD
SCHEMBL9025999 0.84 PDE4D (0.53) PDE4DKDM4ESMN1; SMN2POLBKMT2A
SCHEMBL7814443 0.82 PDE4D (0.58) PDE4DKDM4ESMN1; SMN2HPGDPOLB
SCHEMBL27036749 0.78 MAPK1 (0.51) PDE4DKDM4EMAPK1SMN1; SMN2HPGD
SCHEMBL9026168 0.77 KDM4E (0.58) PDE4DKDM4ESMN1; SMN2POLBKMT2A
SCHEMBL19158730 0.76 PDE4D (0.59) PDE4DKDM4EMAPK1SMN1; SMN2HPGD
SCHEMBL31297128 0.76 CYP1A2 (0.46) KDM4EMAPK1SMN1; SMN2HPGDKMT2A
SCHEMBL27129316 0.76 CYP1A2 (0.52) KDM4EMAPK1SMN1; SMN2HPGDPOLB
SCHEMBL31367819 0.75 PDE4D (0.73) PDE4DKDM4EMAPK1SMN1; SMN2HPGD
SCHEMBL14471209 0.75 L3MBTL1 (0.45) KDM4EMAPK1SMN1; SMN2POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115087652-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-05-07 CN disclosed
US-11851418-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-12-26 US disclosed
EP-4103561-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2022-12-21 EP disclosed
CN-115087652-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-20 CN disclosed
US-20210276976-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-09 US disclosed
US-20210276976-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-09 US disclosed
WO-2021160716-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed
WO-2021160716-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 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 (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-20210276976-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, CTRB2 PDE4D 3713/4885KDM4E 1044/4885MAPK1 1663/4885
US-11851418-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, CTRB2 PDE4D 3713/4885KDM4E 1044/4885MAPK1 1663/4885

“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.