SCHEMBL12056576

SCHEMBL12056576

C[C@H](O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ KLK5 Q9Y337 3/20 0.47
▸ CTSS P25774 6/20 0.44
▸ CTSK P43235 5/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PSEN1 P49768 3/20 0.42
▸ PSEN2 P49810 3/20 0.42
▸ APH1B Q8WW43 3/20 0.42
▸ NCSTN Q92542 3/20 0.42
▸ APH1A Q96BI3 3/20 0.42
▸ PSENEN Q9NZ42 3/20 0.42
▸ APP P05067 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 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
SCHEMBL27449230 1.00 PPARG (0.51) PPARGPPARAKLK5CTSSCTSK
SCHEMBL9922080 1.00 PPARG (0.51) PPARGPPARAKLK5CTSSCTSK
SCHEMBL6747610 0.84 KLK5 (0.49) KLK5CA1CA2CA7ATM
SCHEMBL7471521 0.84 KLK5 (0.49) PPARGPPARAKLK5CTSSCTSK
SCHEMBL7471500 0.84 KLK5 (0.49) PPARGPPARAKLK5CTSSCTSK
SCHEMBL6747612 0.84 KLK5 (0.49) KLK5CA1CA2CA7ATM
SCHEMBL7471507 0.84 KLK5 (0.49) PPARGPPARAKLK5CTSSCTSK
SCHEMBL27486450 0.84 KLK5 (0.63) KLK5CTSSCTSKATMPSEN1
SCHEMBL8486327 0.84 KLK5 (0.63) KLK5CTSSCTSKATMPSEN1
SCHEMBL27796636 0.84 KLK5 (0.63) KLK5CTSSCTSKATMPSEN1

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-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 — — US disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 — — US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 — — US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 — — US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 — — US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 — — US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — 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-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 PPARG 185/4885PPARA 466/4885KLK5 2202/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 PPARG 194/4885PPARA 486/4885KLK5 1639/4885

“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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