SCHEMBL1766985

SCHEMBL1766985

O=C(O)C(Cc1cccs1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 1.00
LMNA P02545 3/20 0.52
RAB9A P51151 3/20 0.51
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
CTSC P53634 1/20 0.50
ALDH1A1 P00352 3/20 0.49
DAO P14920 1/20 0.48
POLB P06746 3/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL7350157 0.86 CYP2C19 (0.75) CYP2C19LMNARAB9ASLC1A3SLC1A2
SCHEMBL28997199 0.84 CYP2C19 (0.72) CYP2C19LMNARAB9ASLC1A3SLC1A2
SCHEMBL4371675 0.84 CYP2C19 (0.72) CYP2C19LMNARAB9ASLC1A3SLC1A2
SCHEMBL8434543 0.84 CYP2C19 (0.72) CYP2C19LMNARAB9ASLC1A3SLC1A2
SCHEMBL253781 0.84 CYP2C19 (0.72) CYP2C19LMNARAB9ASLC1A3SLC1A2
SCHEMBL934056 0.83 CYP2C19 (0.70) CYP2C19LMNARAB9ASLC1A3SLC1A2
SCHEMBL43293 0.82 CYP2C19 (0.70) CYP2C19RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL16683907 0.82 CYP2C19 (0.70) CYP2C19LMNARAB9ASLC1A3SLC1A2
SCHEMBL288244 0.82 CYP2C19 (0.70) CYP2C19RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL9402288 0.82 CYP2C19 (0.70) CYP2C19LMNARAB9ASLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009084028-A2 IMPROVED PROCESS FOR MANUFACTURING ANHYDROUS (E)-3-[2-BUTYL-1- {(4-CARBOXYPHENYL) METHYL}-1H-IMIDAZOLE-5-YL]-(THIOPHEN-2- YLMETHYL)PROP-2-ENOIC ACID METHANE SULFONATE NEULAND LABORATORIES LTD (IN) 2009-07-09 WO claimed
CN-105209453-B The quinolyl conditioning agent of the methylene connection of ROR γ T 詹森药业有限公司 2017-06-20 CN disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
CN-105209453-A Methylene linked quinolinyl modulators of ROR-gamma-T JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
WO-1997000261-A1 PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1997-01-03 WO disclosed
US-5447949-A Vision defects or cardiovascular disorders SMITHKLINE BEECHAM CORPORATION (US) 1995-09-05 US disclosed
WO-1995015325-A1 IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-08 WO disclosed
US-5395847-A Angiotensin II receptor antagonists; useful in regulating hypertension, treatment of congestive heart failure, renal failure, and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1995-03-07 US disclosed
EP-0585383-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1994-08-17 EP disclosed
EP-0585383-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-03-09 EP disclosed
WO-1993006828-A1 MEDICAMENT FOR THE TREATMENT OF ANXIETY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed
US-5169841-A Enzyme inhibitors, hypotensive agents, high enteral bioauailability HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
WO-1992020651-A2 N-(HETEROARYL)-IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-11-26 WO disclosed
US-4690945-A ANTIINFLAMMATORY AGENTS; ANALGESICS LABORATORIOS MADAUS CERAFARM, S.A. (ES) 1987-09-01 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-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CYP2C19 1510/4885LMNA 3340/4885RAB9A 352/4885

“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.