SCHEMBL3148719

SCHEMBL3148719

CCOC(=O)c1cc(S)cc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
HRH3 Q9Y5N1 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.45
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL14349019 0.93 CA12 (0.62) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL3327442 0.91 CYP2C19 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL7234951 0.91 CYP2C19 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL5382311 0.89 CA12 (0.62) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL22660964 0.89 CYP2C19 (0.68) CYP2C19CYP2C9CA12CA1CA2
Ammonia Solution, Strong SCHEMBL28298874 0.89 CYP2C19 (0.68) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL264861 0.85 CYP2C19 (0.64) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL2759065 0.84 CYP2C19 (0.62) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL30195103 0.84 CYP2C9 (0.62) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL57016 0.84 CA12 (0.79) CYP2C19CYP2C9CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022880-B2 Chemically amplified positive-type photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template, method of manufacturing plated article, and mercapto compound TOKYO OHKA KOGYO CO., LTD. (JP) 2021-06-01 US disclosed
US-20190121233-A1 CHEMICALLY AMPLIFIED POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PATTERNED RESIST FILM, METHOD OF MANUFACTURING SUBSTRATE WITH TEMPLATE, METHOD OF MANUFACTURING PLATED ARTICLE, AND MERCAPTO COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2019-04-25 US disclosed
US-8343696-B2 Colored curable composition, fluorine-containing dipyrromethene compound and tautomer thereof, and fluorine-containing dipyrromethene metal complex and tautomer thereof, and color filter using the same and method for producing the color filter FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-20100081071-A1 COLORED CURABLE COMPOSITION, FLUORINE-CONTAINING DIPYRROMETHENE COMPOUND AND TAUTOMER THEREOF, AND FLUORINE-CONTAINING DIPYRROMETHENE METAL COMPLEX AND TAUTOMER THEREOF, AND COLOR FILTER USING THE SAME AND METHOD FOR PRODUCING THE COLOR FILTER FUJIFILM CORPORATION (JP) 2010-04-01 US 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-20190121233-A1 CHEMICALLY AMPLIFIED POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PHOTOSENSITIVE DRY FILM, METHOD OF MANUFACTURING PATTERNED RESIST FILM, METHOD OF MANUFACTURING SUBSTRATE WITH TEMPLATE, METHOD OF MANUFACTURING PLATED ARTICLE, AND MERCAPTO COMPOUND CUTA, POLR1C, ASIC1 CYP2C19 2522/4885CYP2C9 2775/4885CA12 3407/4885
US-11022880-B2 Chemically amplified positive-type photosensitive resin composition, photosensitive dry film, method of manufacturing photosensitive dry film, method of manufacturing patterned resist film, method of manufacturing substrate with template, method of manufacturing plated article, and mercapto compound CUTA, POLR1C, ASIC1 CYP2C19 2522/4885CYP2C9 2775/4885CA12 3407/4885
US-20100081071-A1 COLORED CURABLE COMPOSITION, FLUORINE-CONTAINING DIPYRROMETHENE COMPOUND AND TAUTOMER THEREOF, AND FLUORINE-CONTAINING DIPYRROMETHENE METAL COMPLEX AND TAUTOMER THEREOF, AND COLOR FILTER USING THE SAME AND METHOD FOR PRODUCING THE COLOR FILTER SCO2, TDO2, FTH1 CYP2C19 1784/4885CYP2C9 894/4885CA12 886/4885

“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.