Sugi Predict

Sugi Predict / Compounds / SCHEMBL2521090

SCHEMBL2521090

SCHEMBL2521090

Cn1cc(-c2cccs2)c(C(O)c2cccnc2)c1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KCNA5 P22460 4/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ PLAUR Q03405 2/20 0.33

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
SCHEMBL2519768 0.92 TSHR (0.43) TSHRALDH1A1LMNAMAPTCYP2E1
SCHEMBL2338890 0.89 TSHR (0.44) TSHRALDH1A1LMNAMAPTCYP2E1
SCHEMBL2518927 0.89 TSHR (0.41) TSHRALDH1A1LMNAMAPTCYP2E1
SCHEMBL2523610 0.87 TSHR (0.41) TSHRALDH1A1LMNAMAPTCYP2E1
SCHEMBL2522129 0.85 CYP2A6 (0.40) TSHRLMNACYP3A4CYP2A6SMN1; SMN2
SCHEMBL2519031 0.83 TSHR (0.44) TSHRALDH1A1LMNAMAPTCYP2E1
SCHEMBL2525376 0.83 TSHR (0.44) TSHRALDH1A1LMNAMAPTCYP2E1
SCHEMBL2522845 0.83 TSHR (0.41) TSHRALDH1A1LMNAMAPTCYP2E1
SCHEMBL2521086 0.82 TSHR (0.41) TSHRLMNAMAPTCYP2E1CYP3A4
SCHEMBL2520417 0.81 KCNA5 (0.38) LMNACYP3A4SMN1; SMN2L3MBTL1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
WO-2010069880-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — WO disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 — — US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 — — US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 — — 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 (2 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-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES NOX5, CYP3A5, API5 TSHR 2380/4885ALDH1A1 1012/4885LMNA 4216/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B TSHR 556/4885ALDH1A1 2660/4885LMNA 4815/4885

“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.