SCHEMBL2482093

SCHEMBL2482093

Cc1ccc(C(N)(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL638306 0.87 CYP1A2 (0.54) KIF11CYP1A2CYP2D6KMT2AMAPT
SCHEMBL28091404 0.86 KMT2A (0.52) KIF11CYP1A2CYP2D6CES2CES1
SCHEMBL28024028 0.85 CYP1A2 (0.52) KIF11CYP1A2CYP2D6KMT2AMAPT
Hydrochloric Acid SCHEMBL27908053 0.85 CYP1A2 (0.52) KIF11CYP1A2CYP2D6KMT2AMAPT
SCHEMBL20290135 0.82 KIF11 (0.44) KIF11CYP1A2CYP2D6CES2CES1
SCHEMBL20290752 0.82 KIF11 (0.44) KIF11CYP1A2CYP2D6CES2CES1
SCHEMBL4540929 0.80 KIF11 (0.47) KIF11CYP1A2CYP2D6KMT2AMAPT
SCHEMBL28012260 0.80 ALDH1A1 (0.56) KIF11CYP1A2CYP2D6CES2CES1
SCHEMBL9447276 0.79 KCNN4 (0.50) KIF11CYP1A2CYP2D6CES2CES1
Hydrochloric Acid SCHEMBL27841052 0.78 ALDH1A1 (0.54) KIF11CYP1A2CYP2D6CES2CES1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN claimed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN disclosed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
CN-1200374-A Vitronectin receptor antagonists, their preparation and use HOECHST AG (DE) 1998-12-02 CN disclosed
CN-1200373-A Vitronectin receptor antagonists, their prepn. and use HOECHST AG (DE) 1998-12-02 CN disclosed
CN-1193623-A Substituted purine derivatives, their preparation, their use and compositions containing them HOECHST AG (DE) 1998-09-23 CN disclosed
CN-1193022-A Heterocyclic compound used as leucocyte adherence inhibitor and VLA-4 antagonist HOECHST AG (DE) 1998-09-16 CN disclosed
CN-1187490-A 5-membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists HOECHST AG (DE) 1998-07-15 CN disclosed
CN-1182746-A Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists HOECHST AG (DE) 1998-05-27 CN disclosed
CN-1134696-A Substituted 5-membered heterocycles, process for their preparation and their use CASSELLA FARBWERKE MAINKUR AG (DE) 1996-10-30 CN 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG KIF11 3821/4885CYP1A2 994/4885CYP2D6 2637/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG KIF11 3821/4885CYP1A2 994/4885CYP2D6 2637/4885

“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.