SCHEMBL22208484

SCHEMBL22208484

COc1c(O)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA2 P00918 1/20 0.38
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TUBB1 Q9H4B7 2/20 0.37
MAOB P27338 1/20 0.35
MAOA P21397 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL29804315 1.00 TDP1 (0.39) TDP1CA1CA9CA12CA7
SCHEMBL30716435 0.85 CA3 (0.31) CA9HSD17B1HSD17B2TUBB1CA3
SCHEMBL29131439 0.85 CA3 (0.31) CA9HSD17B1HSD17B2TUBB1CA3
SCHEMBL23780812 0.82 MEP1B (0.41) TDP1CA1CA9CA12CA7
SCHEMBL1994314 0.80 MEP1B (0.41) CA1CA9CA12CA7CA2
SCHEMBL26631843 0.80 TDP1 (0.38) TDP1CA1CA9CA12CA7
SCHEMBL31085196 0.78 ALOX5AP (0.38) TDP1CA1CA9CA12CA7
SCHEMBL69925 0.77 TDP1 (0.52) TDP1CA1CA9CA12CA7
SCHEMBL29403778 0.77 TDP1 (0.52) TDP1CA1CA9CA12CA7
Nitrogen SCHEMBL29123071 0.76 MEP1B (0.39) TUBB1MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1312107-C 3,4-difluoro-2-methoxy phenol ester derivative and its preparing method and use UNIV TSINGHUA (CN) 2007-04-25 CN claimed
CN-1709855-A 3,4-difluoro-2-methoxy phenol ester derivative and its preparing method and use UNIV TSINGHUA (CN) 2005-12-21 CN claimed
US-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 US disclosed
EP-4583867-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2025-07-16 EP disclosed
EP-4511115-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20240336574-A1 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. 2024-10-10 US disclosed
WO-2024054622-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
EP-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 EP disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 WO disclosed
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 WO disclosed
CN-101044121-A 4-aminopyrimidine-5-one HOFFMANN LA ROCHE (CH) 2007-09-26 CN disclosed
CN-1312107-C 3,4-difluoro-2-methoxy phenol ester derivative and its preparing method and use UNIV TSINGHUA (CN) 2007-04-25 CN disclosed
CN-1709855-A 3,4-difluoro-2-methoxy phenol ester derivative and its preparing method and use UNIV TSINGHUA (CN) 2005-12-21 CN disclosed
CN-1709855-A 3,4-difluoro-2-methoxy phenol ester derivative and its preparing method and use UNIV TSINGHUA (CN) 2005-12-21 CN 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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN8A, SCN1B, SCN3A TDP1 2797/4885CA1 1002/4885CA9 610/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 TDP1 3607/4885CA1 2628/4885CA9 2341/4885
US-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A TDP1 3674/4885CA1 646/4885CA9 905/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 TDP1 3607/4885CA1 2628/4885CA9 2341/4885
US-20240336574-A1 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE P2RX5, HRH4, TRPV1 TDP1 3362/4885CA1 4189/4885CA9 4457/4885

“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.