SCHEMBL863774

SCHEMBL863774

Oc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NQO2 P16083 1/20 0.47
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
TMPRSS4 Q9NRS4 2/20 0.43
KIF11 P52732 1/20 0.43
KDM4E B2RXH2 2/20 0.42
AR P10275 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGS1 P23219 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5397667 0.88 CES2 (0.44) CES2MEN1KMT2ANQO2HSD17B1
SCHEMBL1599382 0.85 ALDH1A1 (0.59) CES2MEN1KMT2ANQO2HSD17B1
SCHEMBL102484 0.85 ALDH1A1 (0.57) CES2MEN1KMT2ANQO2KIF11
SCHEMBL3685920 0.85 ESR1 (0.57) CES2MEN1KMT2ANQO2HSD17B1
SCHEMBL17141574 0.83 MEN1 (0.44) CES2MEN1KMT2ANQO2KIF11
SCHEMBL2001354 0.81 CES2 (0.55) CES2MEN1KMT2ANQO2TMPRSS4
SCHEMBL187014 0.80 NQO2 (0.61) CES2MEN1KMT2ANQO2KIF11
SCHEMBL16648820 0.78 ESR1 (0.43) CES2HSD17B1HSD17B2ARCYP2C9
SCHEMBL30708496 0.78 ESR1 (0.43) CES2HSD17B1HSD17B2ARCYP2C9
SCHEMBL25933574 0.78 ESR1 (0.64) CES2MEN1KMT2ANQO2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598901-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF Thomas Jefferson University (US) 2025-08-13 EP disclosed
CN-116655497-B Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2025-06-03 CN disclosed
EP-4484407-A2 (METH)ACRYLATE COMPOUND, ADDITIVE FOR OPTICAL RESIN, OPTICAL ELEMENT, AND OPTICAL DEVICE NIKON CORPORATION (JP) 2025-01-01 EP disclosed
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
WO-2024076964-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-04-11 WO disclosed
WO-2023160509-A1 AMIDINE DERIVATIVE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-08-31 WO disclosed
CN-116655497-A Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2023-08-29 CN disclosed
US-11142636-B2 (Meth)acrylate compound, additive for optical resin, optical element, and optical device NIKON CORPORATION (JP) 2021-10-12 US disclosed
US-20190322857-A1 (METH)ACRYLATE COMPOUND, ADDITIVE FOR OPTICAL RESIN, OPTICAL ELEMENT, AND OPTICAL DEVICE NIKON CORPORATION (JP) 2019-10-24 US disclosed
EP-1716116-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2006-11-02 EP disclosed
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20050222213-A1 Alpha(trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents METABOLEX, INC. (US) 2005-10-06 US disclosed
WO-2005080340-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2005-09-01 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1500641-A1 HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-01-26 EP disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
US-4347387-A ISOMERIZATION OF 7-HYDROXYGERANYLAMINES OR 7-HYDROXYNERYLAMINES, PALLADIUM-PHOSPHINE CATALYST, ACIDOLYSIS TAKASAGO PERFUMERY CO., LTD. (JP) 1982-08-31 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 (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-20050222213-A1 Alpha(trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents GPR119, SLC5A1, AADAC CES2 382/4885MEN1 2841/4885KMT2A 1146/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CES2 3025/4885MEN1 3295/4885KMT2A 4267/4885
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same HBB, AFF4, AFF2 CES2 2075/4885MEN1 4285/4885KMT2A 1619/4885

“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.