SCHEMBL17386575

SCHEMBL17386575

COc1cc(-c2csc(-n3c(C)ccc3C)n2)ccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ RECQL P46063 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GRM2 Q14416 2/20 0.40

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
SCHEMBL17386577 0.84 CYP11B2 (0.49) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL17386614 0.80 ALDH1A1 (0.64) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL17407189 0.74 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL17407190 0.73 RAB9A (0.45) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7688735 0.73 MAPT (0.41) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL17386626 0.72 ALDH1A1 (0.68) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7681878 0.71 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL21300992 0.69 AR (0.52) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3016326 0.68 MAPT (0.55) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6040790 0.68 MAPT (0.75) MAPTRAB9ASMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 — — US disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 — — US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 — — US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 — — US disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 — — EP disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 — — 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 MAPT 700/4885RAB9A 2669/4885SMN1; SMN2 1804/4885

“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.

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