SCHEMBL1972074

SCHEMBL1972074

COc1cc(OC(F)(F)F)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 4/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
KMT2A Q03164 3/20 0.46
PIM1 P11309 1/20 0.46
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
USP2 O75604 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL2317882 0.87 KMT2A (0.52) ALDH1A1HPGDNPC1KMT2ACYP2C19
SCHEMBL1968929 0.87 KMT2A (0.49) ALDH1A1KDM4EHPGDNPC1KMT2A
SCHEMBL17908047 0.87 KDM4E (0.49) ALDH1A1KDM4EHPGDNPC1AKR1C2
SCHEMBL987280 0.87 KDM4E (0.51) ALDH1A1KDM4EHPGDAKR1C2AKR1C1
SCHEMBL2588369 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDNPC1AKR1C2
SCHEMBL18707310 0.85 MRGPRX4 (0.52) NPC1PPARGPPARARAB9ASMN1; SMN2
SCHEMBL5796686 0.84 CYP3A4 (0.51) ALDH1A1KDM4EHPGDNPC1KMT2A
SCHEMBL27051456 0.84 KDM4E (0.71) ALDH1A1KDM4EHPGDPTGS1PTGS2
SCHEMBL3372019 0.84 KDM4E (0.51) ALDH1A1KDM4EHPGDAKR1C2AKR1C1
SCHEMBL27051578 0.84 PTGER4 (0.43) ALDH1A1KDM4EAKR1C2AKR1C1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027903-A1 Resist Material And Patterning Process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-20240027903-A1 Resist Material And Patterning Process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
EP-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
EP-2720545-B1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2016-11-30 EP disclosed
EP-2720545-B1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2016-11-30 EP disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
US-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
US-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
US-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
EP-1937675-A2 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
EP-1937657-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007039175-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039174-A2 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
EP-1675858-A2 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2006-07-05 EP disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 WO disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 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 (4 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-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PPARG, PPARA, PPARD ALDH1A1 1019/4885KDM4E 3260/4885HPGD 1304/4885
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D ALDH1A1 1664/4885KDM4E 2877/4885HPGD 1492/4885
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 ALDH1A1 1540/4885KDM4E 865/4885HPGD 3328/4885
US-20240027903-A1 Resist Material And Patterning Process LBR, HNRNPU, EWSR1 ALDH1A1 4741/4885KDM4E 778/4885HPGD 4006/4885

“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.