SCHEMBL394161

SCHEMBL394161

Cc1ccc(C(=O)OCOC(=O)N(CC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
POLB P06746 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ESR1 P03372 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ESR2 Q92731 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL390172 0.88 ADRB2 (0.43) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL395449 0.88 NPSR1 (0.43) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL390381 0.87 MAPK1 (0.41) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL395054 0.87 CA1 (0.43) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL392988 0.87 KDM4E (0.46) RAB9AMAPTALDH1A1KMT2AMAPK1
SCHEMBL395297 0.86 TDP1 (0.36) TDP1CA12CA1CA2CA7
SCHEMBL395808 0.86 CYP1A2 (0.38) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL393282 0.85 ADRB2 (0.43) RAB9AMAPTALDH1A1KMT2AADRB2
SCHEMBL393528 0.84 HPGD (0.48) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL393339 0.84 KMT2A (0.44) MAPTALDH1A1KMT2APOLBLMNA

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
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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 (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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 RAB9A 4/4885NPC1 3841/4885MAPT 4452/4885

“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.