SCHEMBL1982182

SCHEMBL1982182

O=C(O)c1ccc(Br)c(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.60
SELP P16109 1/20 0.60
ERN1 O75460 2/20 0.49
AKR1C4 P17516 2/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
CYP1A2 P05177 1/20 0.46
LDHA P00338 1/20 0.45
PTPN1 P18031 4/20 0.44
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALB P02768 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP2 P08253 1/20 0.43
TTR P02766 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL29860525 0.84 SELL (0.79) SELLSELPCYP1A2LDHAPTPN1
SCHEMBL176255 0.84 SELL (0.79) SELLSELPCYP1A2LDHAPTPN1
SCHEMBL6508228 0.84 AKR1C3 (0.47) SELLSELPERN1AKR1C4AKR1C3
SCHEMBL78614 0.84 SELL (0.52) SELLSELPERN1AKR1C4AKR1C3
SCHEMBL11043522 0.82 SELL (0.75) SELLSELPCYP1A2LDHAPTPN1
SCHEMBL29250135 0.82 SELL (0.75) SELLSELPCYP1A2LDHAPTPN1
SCHEMBL29112577 0.82 SELL (0.75) SELLSELPCYP1A2LDHAPTPN1
SCHEMBL29072927 0.82 SELL (0.75) SELLSELPCYP1A2LDHAPTPN1
SCHEMBL29208048 0.82 SELL (0.75) SELLSELPCYP1A2LDHAPTPN1
SCHEMBL29030098 0.82 SELL (0.75) SELLSELPCYP1A2LDHAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260146037-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF SHANGHAI YIDIAN PHARMACEUTICAL TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2026-05-28 US disclosed
US-20250101011-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF SHANGHAI YIDIAN PHARMACEUTICAL TECHNOLOGY DEVELOPMENT CO., LTD (CN) 2025-03-27 US disclosed
EP-4450497-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF Shanghai Yidian Pharmaceutical Technology Development Co., Ltd (CN) 2024-10-23 EP disclosed
CN-118475575-A Peptidyl nitrile compound and application thereof 上海壹典医药科技开发有限公司 2024-08-09 CN disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 WO disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 WO disclosed
CN-104341401-B NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION 北京凯因科技股份有限公司 2017-02-15 CN disclosed
CN-101044403-B Methods for altering surface characteristics of microspheres LUMINEX CORP 2012-10-31 CN disclosed
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
CN-101044403-A Methods for altering surface characteristics of microspheres LUMINEX CORP (US) 2007-09-26 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 (3 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-20250101011-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF CTSC, CTSL, CTRL SELL 1706/4885SELP 705/4885ERN1 1301/4885
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 SELL 4179/4885SELP 3614/4885ERN1 75/4885
US-20260146037-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF JAK1, CTSZ, CTSL SELL 716/4885SELP 453/4885ERN1 1434/4885

“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.