SCHEMBL2106792

SCHEMBL2106792

FC(F)(F)Oc1ccc(CN=C=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.61
TRPA1 O75762 2/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
GRIN2B Q13224 4/20 0.46
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
SLC6A4 P31645 1/20 0.39

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
SCHEMBL5442360 0.82 GRIN2B (0.46) MIFALDH1A1GRIN2BTSHRSLC6A4
SCHEMBL13664654 0.80 MIF (0.60) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13667977 0.79 GRIN2B (0.49) ALDH1A1GRIN2BTSHRMAPTSLC6A4
SCHEMBL1815294 0.79 MIF (0.71) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141861 0.78 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13452601 0.76 GRIN2B (0.49) ALDH1A1GRIN2BTSHRSLC6A4
SCHEMBL3849073 0.76 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL354853 0.76 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2092524 0.76 GRIN2B (0.53) ALDH1A1GRIN2BTSHRSLC6A4
SCHEMBL1020500 0.73 P2RY6 (0.47) MIFALDH1A1CYP3A4TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023163555-A1 NOVEL HYDANTOIN DERIVATIVES AND USES THEREOF (주)셀로스바이오텍 2023-08-31 WO disclosed
WO-2020021544-A1 CANNABIDIOL AND METHYLTHIO-BUTYL-ISOTHIOCYANATE FOR TREATING INFLAMMATORY DISEASES BOL PHARMA LTD. (IL) 2020-01-30 WO disclosed
US-20120208879-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS GAVISH-GALILEE BIO APPLICATIONS LTD. (IL) 2012-08-16 US disclosed
US-8158161-B2 Methods and pharmaceutical compositions useful for treating psoriasis S.U.L.V.E. LTD. (IL) 2012-04-17 US disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 US disclosed
US-20080044497-A1 Methods and Pharmaceutical Compositions Useful for Treating Psoriasis S.U.L.V.E. LTD. (IL) 2008-02-21 US disclosed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP disclosed
US-5021412-A Protecting agricultural crops MITSUI TOATSU CHEMICALS, INC. (JP) 1991-06-04 US disclosed
EP-0354297-A1 Thiadiazines, process for production thereof, and insecticidal and acaricidal agents comprising the thiadiazines MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-02-14 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 (1 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R MIF 277/4885TRPA1 601/4885ALDH1A1 2349/4885

“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.