SCHEMBL523604

SCHEMBL523604

COC(=O)c1c(F)c(F)c(C)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
TAS1R3 Q7RTX0 13/20 0.47
TAS1R1 Q7RTX1 12/20 0.47
TAS1R2 Q8TE23 12/20 0.47
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL9766128 0.91 TSHR (0.46) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL522175 0.90 TSHR (0.61) TSHRMAPK1ALDH1A1NPSR1MAPT
SCHEMBL16300563 0.88 TSHR (0.47) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL1719721 0.87 TSHR (0.59) TSHRMAPK1ALDH1A1NPSR1MAPT
SCHEMBL19478140 0.87 TSHR (0.43) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL9766053 0.86 TSHR (0.42) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL19478297 0.86 TSHR (0.42) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL21230677 0.86 TSHR (0.46) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL19478152 0.86 TSHR (0.42) TSHRMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL7198377 0.85 TSHR (0.57) TSHRMAPK1ALDH1A1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840534-B2 Substituted tricyclic compounds as FGFR inhibitors INCYTE CORPORATION (US) 2023-12-12 US disclosed
CN-109071410-B Ester compound and use thereof 大日本除虫菊株式会社 2022-11-01 CN disclosed
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
EP-3746435-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Inc. (US) 2020-12-09 EP disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
WO-2020084847-A1 ESTER COMPOUND AND USE THEREOF 住友化学株式会社 2020-04-30 WO disclosed
WO-2019150305-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-08 WO disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 US disclosed
EP-0054360-B1 FLUOROBENZYL CYCLOPROPANE CARBOXYLATES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-05 EP disclosed
US-4486355-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-12-04 US disclosed
EP-0032121-B1 SUBSTITUTED TETRAFLUOROBENZYL ALCOHOLS AND HALIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-16 EP disclosed
US-4385070-A CYCLOPROPANE DERIVATIVES AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-24 US disclosed
US-4370346-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-01-25 US disclosed
EP-0060617-A1 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed
EP-0054360-A2 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions comprising them and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-23 EP disclosed
EP-0016513-B1 ESTERS OF HALOGENATED SUBSTITUTED CYCLOPROPANOIC ACIDS, THEIR PREPARATION AND USE AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-23 EP disclosed
EP-0032121-A2 Substituted tetrafluorobenzyl alcohols and halides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-15 EP disclosed
EP-0016513-A2 Esters of halogenated substituted cyclopropanoic acids, their preparation and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-01 EP 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-11840534-B2 Substituted tricyclic compounds as FGFR inhibitors FGFR3, FGFR1, FGFR2 TSHR 2765/4885MAPK1 2043/4885TAS1R3 2821/4885
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents DPYD, PDXK, TYMP TSHR 4393/4885MAPK1 1592/4885TAS1R3 4062/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A TSHR 4431/4885MAPK1 1693/4885TAS1R3 4429/4885

“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.