SCHEMBL7078451

SCHEMBL7078451

CC(C)CC(=O)c1cc(O)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
HSP90AB1 P08238 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11134495 0.82 CA12 (0.54) FFAR1CA12CA1CA2CA7
SCHEMBL30267852 0.80 HSP90AB1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL459040 0.80 HSP90AB1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL30853452 0.80 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL30852381 0.80 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL288161 0.80 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL30853450 0.80 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL17629412 0.80 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL288000 0.80 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL30853447 0.80 KDM4E (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608049-B2 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2003-08-19 US disclosed
EP-1324987-A1 INDAZOLES WITH THYROID HORMON LIKE ACTIVITY, A PROCESS FOR ITS PREPARATION AND ITS USE IN PHARMACEUTICAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2003-07-09 EP disclosed
US-20020193610-A1 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-12-19 US disclosed
WO-2002022586-A1 INDAZOLES HAVING AN ACTION SIMILAR TO THAT OF A THYROID HORMONE, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 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 (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-20020193610-A1 Indazoles CYP3A43, CYP3A5, CYP3A4 FFAR1 4071/4885CA12 4163/4885CA1 4728/4885

“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.