SCHEMBL2415124

SCHEMBL2415124

O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 1.00
RORA P35398 5/20 0.74
NR1H2 P55055 5/20 0.66
RORC P51449 4/20 0.66
NR1H4 Q96RI1 1/20 0.63
RORB Q92753 1/20 0.62
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
KEAP1 Q14145 2/20 0.58
IL1RN P18510 1/20 0.58
ERAP1 Q9NZ08 1/20 0.58
NR1I2 O75469 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL11414910 0.91 NR1H3 (0.84) NR1H3RORANR1H2RORCNR1H4
SCHEMBL12334557 0.91 NR1H3 (0.84) NR1H3RORANR1H2RORCNR1H4
SCHEMBL12334076 0.88 RORA (0.78) NR1H3RORANR1H2RORCNR1H4
SCHEMBL2945324 0.86 RORA (0.76) NR1H3RORANR1H2RORCNR1H4
SCHEMBL2942043 0.85 RORA (0.74) NR1H3RORANR1H2RORCNR1H4
SCHEMBL11419365 0.85 RORA (0.74) NR1H3RORANR1H2RORCNR1H4
SCHEMBL12334066 0.85 RORA (1.00) NR1H3RORANR1H2RORCNR1H4
SCHEMBL21072953 0.84 NR1H3 (0.70) NR1H3RORANR1H2RORC
SCHEMBL2567685 0.83 NR1H3 (0.71) NR1H3MAPTLMNANPSR1MEN1
SCHEMBL11416348 0.81 RORA (0.73) NR1H3RORANR1H2RORCRORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4503232-B2 2010-07-14 JP claimed
JP-2004521113-A 2004-07-15 JP claimed
US-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-06 US claimed
EP-1353662-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-22 EP claimed
WO-2002058690-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 WO claimed
EP-2882710-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA Phenex Pharmaceuticals AG (DE) 2015-06-17 EP disclosed
WO-2014023367-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2014-02-13 WO disclosed
EP-2542537-A1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE Phenex Pharmaceuticals AG (DE) 2013-01-09 EP disclosed
WO-2011107248-A1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORγ GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE PHENEX PHARMACEUTICALS AG (DE) 2011-09-09 WO disclosed
US-7229816-B2 Sitosterolemia susceptibility gene (SSG) polypeptides AMGEN INC. (US) 2007-06-12 US disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
US-4230635-A ANTIHYPERTENSIVE, HERBICIDES, FUNGICIDES SCHERING CORPORATION (US) 1980-10-28 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-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors ME2, PC, ACACA NR1H3 1227/4885RORA 2055/4885NR1H2 1139/4885

“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.