SCHEMBL2345173

SCHEMBL2345173

O=C(O)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.58
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
HCAR3 P49019 7/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
TTR P02766 1/20 0.50
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HPSE Q9Y251 1/20 0.47
APEX1 P27695 1/20 0.47
PLA2G4B P0C869 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
SCHEMBL3903672 0.88 CASP6 (0.58) CASP6TSHRLMNAHCAR3AKR1C3
SCHEMBL6112698 0.87 PARP1 (0.55) LMNAMAPTMEN1KMT2A
SCHEMBL17101102 0.87 PDK1 (0.46) CASP6TSHRLMNATTRMAPT
SCHEMBL16955557 0.85 PDK1 (0.44) TSHRLMNAMAPTMEN1HPGD
SCHEMBL31615734 0.85 CASP6 (0.58) CASP6TSHRLMNAHCAR3TTR
SCHEMBL15754150 0.84 ALDH1A1 (0.60) TSHRLMNAMAPTMEN1HPGD
SCHEMBL5913240 0.83 SLC6A2 (0.50) TSHRLMNAHCAR3MEN1HPGD
SCHEMBL15754770 0.81 KMT2A (0.57) LMNAMAPTMEN1HPGDKMT2A
SCHEMBL30740908 0.81 TPMT (0.48) CASP6TSHRLMNAHCAR3AKR1C3
SCHEMBL16958490 0.80 PRSS1 (0.42) TSHRLMNAMEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565323-A1 AROMATIC COMPOUNDS FOR USE AS PROTEIN PHOSPHATASE 2A (PP2A) MODULATORS Rappta Therapeutics Oy (FI) 2025-06-11 EP disclosed
CN-119968358-A Protein phosphatase 2A (PP 2A) modulators and methods of use thereof 拉普他治疗公司 2025-05-09 CN disclosed
WO-2024028808-A1 AROMATIC COMPOUNDS FOR USE AS PROTEIN PHOSPHATASE 2A (PP2A) MODULATORS RAPPTA THERAPEUTICS OY (FI) 2024-02-08 WO disclosed
CN-110698459-B 1-phenyl-2-pyridylalkyl alcohol derivatives as phosphodiesterase inhibitors 奇斯药制品公司 2023-05-05 CN disclosed
EP-3122344-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
EP-3122345-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 US disclosed
CN-110698459-A 1-phenyl-2-pyridylalkyl alcohol derivatives as phosphodiesterase inhibitors 奇斯药制品公司 2020-01-17 CN disclosed
EP-2928869-B1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed
WO-2007031791-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-03-22 WO disclosed
WO-2007031791-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-03-22 WO disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO 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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R CASP6 2428/4885TSHR 22/4885LMNA 4241/4885
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS CASP6 271/4885TSHR 901/4885LMNA 1617/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF CASP6 2977/4885TSHR 536/4885LMNA 1151/4885

“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.