Sugi Predict

Sugi Predict / Compounds / SCHEMBL2500242

SCHEMBL2500242

SCHEMBL2500242

COC(=O)/C=C/c1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ CYP2C19 P33261 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAOB P27338 4/20 0.58
▸ NR1H4 Q96RI1 3/20 0.58
▸ TTR P02766 1/20 0.57
▸ APP P05067 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAOA P21397 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54

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
SCHEMBL933091 1.00 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19HPGDMAOB
SCHEMBL69618 0.88 TTR (0.66) CYP1A2CYP2C9CYP2C19HPGDNR1H4
Cyclopropane SCHEMBL11852339 0.85 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HPGDMAOB
SCHEMBL30676338 0.83 CA12 (0.66) CYP1A2CYP2C9CYP2C19HPGDTTR
SCHEMBL3065424 0.83 CA12 (0.66) CYP1A2CYP2C9CYP2C19HPGDTTR
SCHEMBL2631340 0.83 CA12 (0.66) CYP1A2CYP2C9CYP2C19HPGDTTR
SCHEMBL24737365 0.83 MAPT (0.65) CYP1A2CYP2C9CYP2C19HPGDMAOB
SCHEMBL29879082 0.83 MAPT (0.65) CYP1A2CYP2C9CYP2C19HPGDMAOB
SCHEMBL564015 0.83 MAPT (0.65) CYP1A2CYP2C9CYP2C19HPGDMAOB
SCHEMBL564016 0.83 MAPT (0.65) CYP1A2CYP2C9CYP2C19HPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 — — US claimed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 — — US claimed
EP-4626870-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS University of Copenhagen (DK) 2025-10-08 — — EP disclosed
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 — — WO disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
US-20140194291-A1 SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-10 — — US disclosed
EP-2150115-B1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 — — EP disclosed
US-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 — — US disclosed
US-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 — — US disclosed
US-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 — — US disclosed
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 — — US disclosed
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 — — US disclosed
WO-2008150364-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-11 — — WO disclosed
US-7291743-B2 Isoxazole derivatives and methods of treating nitric oxide mediated diseases GENEBLUE CORPORATION (US) 2007-11-06 — — 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 (5 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 CYP1A2 1064/4885CYP2C9 802/4885CYP2C19 609/4885
US-20140194291-A1 SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS CBR3, TH, DHRS9 CYP1A2 1168/4885CYP2C9 96/4885CYP2C19 599/4885
US-20150038466-A1 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 CYP1A2 2840/4885CYP2C9 3721/4885CYP2C19 3314/4885
US-20150274633-A2 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 CYP1A2 2840/4885CYP2C9 3721/4885CYP2C19 3314/4885
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, OXTR CYP1A2 2998/4885CYP2C9 3402/4885CYP2C19 2271/4885

“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.