SCHEMBL394178

SCHEMBL394178

Cc1cc(C)cc(C(=O)OCOC(=O)Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TPMT P51580 1/20 0.42
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
NR1I2 O75469 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL394866 0.81 TDP1 (0.52) TDP1CA12CA1CA2CA7
SCHEMBL7878399 0.80 SMN1; SMN2 (0.41) TDP1CA12CA1CA2CA7
SCHEMBL16627111 0.79 CA12 (0.44) TDP1CA12CA1CA2CA7
SCHEMBL8448417 0.78 ESR1 (0.45) TDP1CA12CA1CA2CA7
SCHEMBL4859473 0.78 CA12 (0.67) TDP1CA12CA1CA2CA7
SCHEMBL23817425 0.78 CA12 (0.52) TDP1CA12CA1CA2CA7
SCHEMBL27646013 0.76 TDP1 (0.49) TDP1CA12CA1CA2CA7
SCHEMBL6889582 0.75 TDP1 (0.47) TDP1CA12CA1CA2CA7
SCHEMBL265366 0.74 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL20649315 0.73 MAPK1 (0.55) TDP1CA12CA1CA2CA7

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-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 TDP1 4661/4885CA12 1404/4885CA1 3111/4885

“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.