SCHEMBL6807679

SCHEMBL6807679

COc1cc(C=O)cc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 1/20 0.44
NQO2 P16083 4/20 0.41
ESR1 P03372 2/20 0.40
CYP1A2 P05177 2/20 0.40
ABL1 P00519 1/20 0.40
TTR P02766 1/20 0.40
ABCB1 P08183 1/20 0.40
ALOX5 P09917 1/20 0.40
BCR P11274 1/20 0.40
CYP19A1 P11511 1/20 0.40
PTGS2 P35354 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
AHR P35869 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL29393877 1.00 CYP1A1 (0.47) CYP1A1CYP1B1ALDH1A1CYP2A6NQO2
SCHEMBL3194836 0.90 PIM1 (0.36) ALDH1A1CYP2A6
SCHEMBL18002962 0.85 NQO2 (0.46) CYP1A1CYP1B1NQO2ESR1CYP1A2
SCHEMBL228003 0.84 CYP1A1 (0.64) CYP1A1CYP1B1ALDH1A1CYP2A6NQO2
SCHEMBL1048346 0.84 ALDH1A1 (0.58) CYP1A1CYP1B1ALDH1A1CYP2A6NQO2
Water SCHEMBL28227114 0.82 CYP1A1 (0.61) CYP1A1CYP1B1ALDH1A1CYP2A6NQO2
SCHEMBL16955225 0.81 CYP1A1 (0.47) CYP1A1CYP1B1ALDH1A1NQO2ESR1
SCHEMBL16950419 0.81 CYP1A1 (0.47) CYP1A1CYP1B1ALDH1A1NQO2ESR1
SCHEMBL2600018 0.81 PTGS1 (0.46) CYP1A1CYP1B1ALDH1A1CYP2A6NQO2
SCHEMBL29490987 0.81 PTGS1 (0.46) CYP1A1CYP1B1ALDH1A1CYP2A6NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584266-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF Cambridge Enterprise Limited (GB) 2025-07-16 EP disclosed
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 WO disclosed
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-12 US disclosed
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-12 US disclosed
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-12 US disclosed
EP-3383873-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2022-03-09 EP disclosed
CN-108349966-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 CN disclosed
US-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-08-12 US disclosed
US-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-08-12 US disclosed
US-10981904-B2 1,3,4-thiadiazole compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-04-20 US disclosed
EP-3383873-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-10-10 EP disclosed
WO-2017093299-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 WO disclosed
WO-2017093299-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 WO disclosed
US-20170152255-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 US disclosed
US-20170152255-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 US disclosed
US-20170152255-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 US disclosed
EP-0719253-B1 3-AMINO-5-CARBOXY-SUBSTITUTED PIPERIDINES AND 3-AMINO-4-CARBOXY-SUBSTITUTED PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER (US) 2004-04-28 EP disclosed
US-6083943-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, ALLERGY, INFLAMMATORY DISEASES, ASTHMA, PAIN, EMESIS OR MIGRAINE IN MAMMALS, ESPECIALLY HUMANS PFIZER INC (US) 2000-07-04 US disclosed
EP-0719253-A1 3-AMINO-5-CARBOXY-SUBSTITUTED PIPERIDINES AND 3-AMINO-4-CARBOXY-SUBSTITUTED PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER INC. (US) 1996-07-03 EP disclosed
WO-1995007886-A1 3-AMINO-5-CARBOXY-SUBSTITUTED PIPERIDINES AND 3-AMINO-4-CARBOXY-SUBSTITUTED PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER INC. (US) 1995-03-23 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 (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-20170152255-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL CYP1A1 855/4885CYP1B1 824/4885ALDH1A1 233/4885
US-10981904-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLUL CYP1A1 855/4885CYP1B1 824/4885ALDH1A1 233/4885
US-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER GLS2, GLS, GLUL CYP1A1 855/4885CYP1B1 824/4885ALDH1A1 233/4885
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLUL CYP1A1 855/4885CYP1B1 824/4885ALDH1A1 233/4885

“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.