SCHEMBL1548068

SCHEMBL1548068

CCc1c(F)c(F)cc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TRPA1 O75762 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL15214999 0.85
SCHEMBL12716286 0.85 RAPGEF4 (0.32)
SCHEMBL5410669 0.83 TAAR1 (0.31) CA1CA2CA4CA12CA7
SCHEMBL8726286 0.83 ADRA2A (0.36) TRPA1ESR1
SCHEMBL8792389 0.83 TRPV4 (0.30)
SCHEMBL25216161 0.83 TRPA1 (0.30) TRPA1
SCHEMBL23492884 0.83 ESR1 (0.33) CA1CA2CA4CES2CES1
SCHEMBL22541487 0.81 TAAR1 (0.31)
SCHEMBL4886898 0.81
SCHEMBL25613968 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044554-A1 VHH ANTIBODY CONJUGATES WITH HETEROARYL CHELATORS Abdera Therapeutics Inc. (US) 2024-02-29 WO disclosed
EP-4273624-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING PROCESS, INTERLAYER INSULATING FILM, SURFACE PROTECTION FILM, AND ELECTRONIC COMPONENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-08 EP disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-01-26 US disclosed
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-11333975-B2 Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-05-17 US disclosed
WO-2007098124-A2 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES WYETH (US) 2007-08-30 WO disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-4551546-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-05 US disclosed
EP-0119701-A1 Grignard syntheses IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-09-26 EP disclosed
US-4429153-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-31 US disclosed
EP-0031199-B1 SUBSTITUTED BENZYL ESTERS OF CYCLOPROPANE CARBOXYLIC ACIDS AND THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND METHODS OF COMBATING INSECT PESTS THEREWITH, AND SUBSTITUTED BENZYL ALCOHOLS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-14 EP disclosed
US-4405640-A Substituted fluorobenzyl cyclopropane carboxylates useful as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-09-20 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-0031199-A1 Substituted benzyl esters of cyclopropane carboxylic acids and their preparation, compositions containing them and methods of combating insect pests therewith, and substituted benzyl alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-01 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 (6 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-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 CA1 4006/4885CA2 1809/4885CA4 2606/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CA1 169/4885CA2 142/4885CA4 1807/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CA1 169/4885CA2 142/4885CA4 1807/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS CA1 4665/4885CA2 4333/4885CA4 4400/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 CA1 4006/4885CA2 1809/4885CA4 2606/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CA1 4745/4885CA2 4398/4885CA4 4363/4885

“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.