SCHEMBL305056

SCHEMBL305056

O=C(O)Cc1cccc(C(F)(F)F)c1F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.57
P2RX7 Q99572 7/20 0.46
FFAR4 Q5NUL3 1/20 0.46
AKR1B1 P15121 2/20 0.46
POLQ O75417 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CXCL8 P10145 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL29525642 1.00 PTGS2 (0.57) PTGS2P2RX7FFAR4AKR1B1POLQ
SCHEMBL31645651 0.84 P2RX7 (0.47) PTGS2P2RX7FFAR4AKR1B1POLQ
SCHEMBL3648899 0.84 RXRA (0.46) PTGS2AKR1B1POLQCXCL8RXRA
SCHEMBL29718585 0.83 POLQ (0.61) PTGS2AKR1B1POLQTDP1CXCL8
SCHEMBL187791 0.83 POLQ (0.61) PTGS2AKR1B1POLQTDP1CXCL8
SCHEMBL30151178 0.83 FFAR4 (0.50) PTGS2P2RX7FFAR4EPHX2
SCHEMBL30428048 0.82 PTGS2 (0.54) PTGS2AKR1B1POLQTDP1CXCL8
SCHEMBL2429479 0.82 PTGS2 (0.54) PTGS2AKR1B1POLQTDP1CXCL8
Hydrochloric Acid SCHEMBL2529825 0.81 POLQ (0.59) PTGS2AKR1B1POLQTDP1CXCL8
SCHEMBL28383035 0.81 PTGS2 (0.44) PTGS2P2RX7FFAR4AKR1B1POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133915-A1 COMPOUNDS WHICH BIND TO PNPLA3I148M AND THEIR USE TO TREAT LIVER DISEASES NOVARTIS AG (CH) 2025-06-26 WO disclosed
CN-118772070-A Quinazoline derivative and preparation method and application thereof 天津济坤医药科技有限公司 2024-10-15 CN disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
CN-109053630-B Benzothiazole derivative and application thereof 中国人民解放军第二军医大学 2022-04-01 CN disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
CN-109053630-A A kind of benzothiazole analog derivative and application thereof 中国人民解放军第二军医大学 2018-12-21 CN disclosed
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-11-06 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed
CN-1190432-C Piperazing derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM PLC (GB) 2005-02-23 CN disclosed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-6747030-B1 CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2004-06-08 US disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed
CN-1399635-A Piperazing derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM PLC (GB) 2003-02-26 CN disclosed
EP-1216239-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-06-26 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2001023374-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-05 WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (5 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-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists HTR1B, HTR2B, HTR2A PTGS2 396/4885P2RX7 130/4885FFAR4 384/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN PTGS2 891/4885P2RX7 2734/4885FFAR4 3868/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN PTGS2 877/4885P2RX7 2804/4885FFAR4 3864/4885
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGS2 93/4885P2RX7 4581/4885FFAR4 2242/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 PTGS2 241/4885P2RX7 30/4885FFAR4 141/4885

“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.