SCHEMBL13035442

SCHEMBL13035442

CC(C)N(C)C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SLC6A2 P23975 3/20 0.47
▸ SLC6A4 P31645 3/20 0.47
▸ PPARG P37231 2/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ TRPV1 Q8NER1 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43

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
SCHEMBL3874936 0.85 NPSR1 (0.48) MEN1KMT2ASLC6A2SLC6A4TRPV1
SCHEMBL24119999 0.85 HRH3 (0.48) HDAC4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL2599660 0.83 SMN1; SMN2 (0.63) MEN1KMT2ASLC6A2SLC6A4TRPV1
SCHEMBL8276072 0.82 HDAC8 (0.61) SLC6A2SLC6A4SMN1; SMN2LMNAHDAC8
SCHEMBL14518807 0.81 SLC6A2 (0.48) MEN1KMT2ASLC6A2SLC6A4TRPV1
SCHEMBL24119876 0.80 HRH3 (0.46) MEN1KMT2ASLC6A2SLC6A4PPARG
SCHEMBL13412202 0.80 CES2 (0.53) SMN1; SMN2ALDH1A1HPGD
SCHEMBL4654242 0.79 MLYCD (0.60) MEN1KMT2ASLC6A2SLC6A4TRPV1
SCHEMBL12084775 0.77 TRPV1 (0.50) MEN1KMT2ASLC6A2SLC6A4TRPV1
SCHEMBL14715023 0.77 — —

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
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 — — WO disclosed
WO-2023110932-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-22 — — WO disclosed
US-20210395243-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-12-23 — — US disclosed
WO-2021013561-A1 PESTICIDAL PYRAZOLE AND TRIAZOLE DERIVATIVES BASF SE (DE) 2021-01-28 — — WO disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 — — US disclosed
US-7671073-B2 Cyclohexylalanine derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-02 — — US disclosed
US-20080027093-A1 Cyclohexylalanine Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-31 — — US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — 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 (3 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-20080027093-A1 Cyclohexylalanine Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 HDAC4 661/4885MEN1 4411/4885KMT2A 2042/4885
US-20210395243-A1 PESTICIDAL COMPOUNDS NIT2, PNMT, DDT HDAC4 2709/4885MEN1 1188/4885KMT2A 3399/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HDAC4 1720/4885MEN1 2672/4885KMT2A 2362/4885

“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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