SCHEMBL16148023

SCHEMBL16148023

COC(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TLR2 O60603 1/20 0.47
▸ TLR1 Q15399 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ XDH P47989 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ HSD17B2 P37059 1/20 0.45

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
SCHEMBL16148312 0.85 PDK1 (0.52) MAPTKMT2AMEN1TLR2TLR1
SCHEMBL16147355 0.82 MAPT (0.52) MAPTKMT2AMEN1TLR2TLR1
SCHEMBL16147540 0.82 CA12 (0.43) MAPTKMT2AMEN1TLR2TLR1
SCHEMBL16148223 0.80 NOTUM (0.47) MAPTKMT2AMEN1TLR2TLR1
SCHEMBL16148623 0.79 HTT (0.55) MAPTKMT2AMEN1KDM4ECA12
SCHEMBL8198953 0.76 AKR1C3 (0.60) MAPTKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL16147786 0.75 CA1 (0.48) MAPTKMT2AMEN1KDM4ECA12
SCHEMBL19554198 0.74 NOTUM (0.54) MAPTTLR2TLR1CYP3A4KDM4E
SCHEMBL16148754 0.74 PDK1 (0.50) MAPTKMT2AMEN1CYP1A2CYP2C19
Methyl Vanillate SCHEMBL25417789 0.73 KMT2A (0.72) MAPTKMT2AMEN1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 — — US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 — — US disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 — — WO 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-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same GLS2, PC, GLS MAPT 2394/4885KMT2A 1812/4885MEN1 1171/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS MAPT 2394/4885KMT2A 1812/4885MEN1 1171/4885

“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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