Sugi Predict

Sugi Predict / Compounds / SCHEMBL3785111

SCHEMBL3785111

SCHEMBL3785111

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ PDK1 Q15118 2/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ PDK3 Q15120 2/20 0.38
▸ PDK4 Q16654 2/20 0.38

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
SCHEMBL3785113 1.00 CTSK (0.41) CTSKNAMPTMAPKAPK2NR1H4CYP17A1
SCHEMBL13785635 1.00 CTSK (0.41) CTSKNAMPTMAPKAPK2NR1H4CYP17A1
SCHEMBL14155353 0.90 CYP17A1 (0.48) NAMPTMAPKAPK2NR1H4CYP17A1PTPN11
SCHEMBL10092627 0.90 CYP17A1 (0.48) NAMPTMAPKAPK2NR1H4CYP17A1PTPN11
SCHEMBL3771898 0.89 CYP17A1 (0.52) NAMPTMAPKAPK2CYP17A1CA12CA1
SCHEMBL3771896 0.89 CYP17A1 (0.52) NAMPTMAPKAPK2CYP17A1CA12CA1
SCHEMBL13785633 0.89 CYP17A1 (0.52) NAMPTMAPKAPK2CYP17A1CA12CA1
SCHEMBL20143603 0.88 MAPT (0.47) NAMPTMAPKAPK2NR1H4CYP17A1RAB9A
SCHEMBL16355696 0.88 MAPT (0.47) NAMPTMAPKAPK2NR1H4CYP17A1RAB9A
SCHEMBL15876021 0.88 MAPT (0.47) NAMPTMAPKAPK2NR1H4CYP17A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 — — US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 — — US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 — — US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 — — US disclosed
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 — — US disclosed
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 — — 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-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS F12, FAR1, NQO2 CTSK 2086/4885NAMPT 150/4885MAPKAPK2 3500/4885
US-20100331384-A1 GUANIDINE BASED COMPOUNDS ADRB2, ADRA2A, ADRA2C CTSK 2757/4885NAMPT 4625/4885MAPKAPK2 882/4885

“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.