SCHEMBL736304

SCHEMBL736304

C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
CA14 Q9ULX7 1/20 0.53
APEX1 P27695 1/20 0.53
EPHX1 P07099 2/20 0.52
EPHX2 P34913 2/20 0.52
CYP3A4 P08684 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL1555336 1.00 MMP8 (0.53) MMP8MMP14CA14APEX1EPHX1
SCHEMBL733499 1.00 MMP8 (0.53) MMP8MMP14CA14APEX1EPHX1
SCHEMBL27486347 0.86 MAPT (0.49) MMP8MMP14CA14EPHX2RAB9A
SCHEMBL29180082 0.86 MAPT (0.57) EPHX2NPC1RAB9AKDM4EMAPT
SCHEMBL6706880 0.85 MAPT (0.40) MMP8MMP14CA14APEX1RAB9A
SCHEMBL9231410 0.85 TSHR (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6706877 0.85 MAPT (0.40) MMP8MMP14CA14APEX1RAB9A
SCHEMBL734962 0.85 TSHR (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL31362160 0.85 TSHR (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL11599210 0.85 RAPGEF4 (0.43) KDM4ELMNA

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123328-A1 Galanthamine derivatives, methods for their obtaining and use Sopharma AD (BG) 2009-11-25 EP claimed
JP-2001508408-A 2001-06-26 JP claimed
EP-1025127-A1 MSH-RECEPTOR SUBTYPE SELECTIVE CYCLIC PEPTIDES Wapharm AB (SE) 2000-08-09 EP claimed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP claimed
WO-1998037097-A1 MSH-RECEPTOR SUBTYPE SELECTIVE CYCLIC PEPTIDES WAPHARM AB (SE) 1998-08-27 WO claimed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
CN-119053644-A Silicone-polyether copolymers, sealants comprising silicone-polyether copolymers, and related methods 美国陶氏有机硅公司 2024-11-29 CN disclosed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2321285-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
EP-2123328-B1 Galanthamine derivatives, methods for their obtaining and use SOPHARMA AD (BG) 2011-05-04 EP disclosed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 US disclosed
EP-2123328-A1 Galanthamine derivatives, methods for their obtaining and use Sopharma AD (BG) 2009-11-25 EP disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1992010509-A1 RENIN-INHIBITING PEPTIDES OF THE CYCLOHEXYLSTATIN TYPE, PROCESS FOR PRODUCING THE SAME AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-25 WO disclosed
US-4102671-A HERBICIDES SHELL OIL COMPANY (US) 1978-07-25 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 (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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 MMP8 1534/4885MMP14 4537/4885CA14 3471/4885

“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.