SCHEMBL6945141

SCHEMBL6945141

CC(S)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
IDO1 P14902 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
AGXT P21549 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RCE1 Q9Y256 1/20 0.41
SLC6A2 P23975 3/20 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
SCHEMBL19120757 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL1571975 0.81 TSHR (0.52) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL15003 0.81 TSHR (0.52) TSHRIDO1SLC1A3SLC1A2SLC1A1
Ammonia Solution, Strong SCHEMBL21518155 0.79 TSHR (0.50) TSHRIDO1SLC1A3SLC1A2SLC1A1
Lithium SCHEMBL9504699 0.79 TSHR (0.50) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL9504704 0.79 TSHR (0.50) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL30556103 0.78 TSHR (0.44) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL11763588 0.78 TSHR (0.44) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL23639417 0.78 IDO1 (0.56) IDO1CYP2D6ALDH1A1TAAR1MAOA
SCHEMBL3701482 0.77 TSHR (0.48) TSHRIDO1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021049472-A1 COMPOUND, RESIN, COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, UNDERLAYER FILM, AND OPTICAL ARTICLE 学校法人 関西大学 2021-03-18 WO disclosed
US-10807951-B2 mTORC1 modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-20 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-20190112268-A1 mTORC1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-18 US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
EP-0899265-B1 Triazole derivatives and their use as antimycotic agents SSP CO LTD (JP) 2003-01-29 EP disclosed
EP-0814079-B1 Triazole derivative or salt thereof SS PHARMACEUTICAL CO (JP) 2001-03-28 EP disclosed
US-6063945-A FUNGICIDES SS PHARMACEUTICAL CO., LTD. (JP) 2000-05-16 US disclosed
US-6008239-A FUNGICIDES FOR THE PREVENTION AND TREATMENT OF MAMMALIAN MYCOTIC INFECTIONS SSP CO., LTD. (JP) 1999-12-28 US disclosed
US-5939448-A ANTIMYCOTIC AGENT SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-17 US disclosed
EP-0899265-A1 Triazole derivatives and their use as antimycotic agents SSP Co., Ltd. (JP) 1999-03-03 EP disclosed
EP-0814079-A1 Triazole derivative or salt thereof SS PHARMACEUTICAL CO., LTD. (JP) 1997-12-29 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 (7 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-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885CA1 4843/4885CA2 1067/4885
US-20190112268-A1 mTORC1 MODULATORS MTOR, RPTOR, RICTOR TSHR 3686/4885CA1 4829/4885CA2 4415/4885
US-10807951-B2 mTORC1 modulators MTOR, RPTOR, RICTOR TSHR 3686/4885CA1 4829/4885CA2 4415/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 TSHR 1187/4885CA1 4843/4885CA2 1067/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885CA1 4843/4885CA2 1067/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885CA1 4843/4885CA2 1067/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 TSHR 1187/4885CA1 4843/4885CA2 1067/4885

“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.