SCHEMBL3304792

SCHEMBL3304792

CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O)C(C)C)cs1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.75
CYP2D6 P10635 6/20 0.75
CYP2C9 P11712 3/20 0.75
CYP2C19 P33261 3/20 0.75
MEN1 O00255 1/20 0.75
SLC22A2 O15244 1/20 0.75
SLC22A1 O15245 1/20 0.75
ABCC3 O15438 1/20 0.75
ABCC4 O15439 1/20 0.75
MLNR O43193 1/20 0.75
NR1I2 O75469 1/20 0.75
SLCO2B1 O94956 1/20 0.75
ABCB11 O95342 1/20 0.75
ALDH1A1 P00352 1/20 0.75
PGR P06401 1/20 0.75
ABCB1 P08183 1/20 0.75
HTR1A P08908 1/20 0.75
ADRA2A P08913 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
MAPT P10636 1/20 0.75

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
SCHEMBL3716311 1.00 CYP3A4 (0.75) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL794553 1.00 CYP3A4 (0.75) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL8269408 0.97 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL2913540 0.97 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL13748639 0.89 CYP3A4 (0.69) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL13749205 0.89 CYP3A4 (0.69) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL3039096 0.89 CYP3A4 (0.71) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL2916535 0.88 CYP3A4 (0.67) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL7091785 0.87 CYP3A4 (0.81) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL2736324 0.87 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1

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-4161951-A1 METHODS FOR DETECTING AND TREATING COVID PATIENTS REQUIRING INTENSIVE CARE Institut Gustave-Roussy (FR) 2023-04-12 EP disclosed
US-20100099885-A1 PROCESS FOR THE PREPARATION OF FORM I AND FORM II OF RITONAVIR RANBAXY LABORATORIES LIMITED (IN) 2010-04-22 US disclosed
US-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 US disclosed
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage NEW RIVER PHARMACEUTICALS INC. (US) 2007-10-04 US disclosed
US-7060708-B2 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. (US) 2006-06-13 US disclosed
US-6911214-B2 Containing lopinavir or its mixtures, comprising a sweetener, two or more flavoring agents menthol, peppermint, vanilla, cotton candy flavors, and flavor modifier such as sodium citrate, sodium chloride and citric acid ABBOTT LABORATORIES (US) 2005-06-28 US disclosed
US-20020198160-A1 Compositions and methods for enhancing the bioavailability of pharmaceutical agents ABBOTT LABORATORIES 2002-12-26 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 (3 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-20100099885-A1 PROCESS FOR THE PREPARATION OF FORM I AND FORM II OF RITONAVIR CYP2F1, CYP3A5, CYP3A4 CYP3A4 3/4885CYP2D6 41/4885CYP2C9 18/4885
US-20020198160-A1 Compositions and methods for enhancing the bioavailability of pharmaceutical agents ABCG2, ABCB1, CYP3A5 CYP3A4 12/4885CYP2D6 28/4885CYP2C9 44/4885
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage VIP, BST2, FCGR3B CYP3A4 2045/4885CYP2D6 1285/4885CYP2C9 985/4885

“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.