SCHEMBL971608

SCHEMBL971608

CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)N(C)C(=O)Oc2cncs2)C(C)C)cs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.68
CYP2D6 P10635 6/20 0.68
CYP2C9 P11712 3/20 0.68
CYP2C19 P33261 3/20 0.68
MEN1 O00255 1/20 0.68
SLC22A2 O15244 1/20 0.68
SLC22A1 O15245 1/20 0.68
ABCC3 O15438 1/20 0.68
ABCC4 O15439 1/20 0.68
MLNR O43193 1/20 0.68
NR1I2 O75469 1/20 0.68
SLCO2B1 O94956 1/20 0.68
ABCB11 O95342 1/20 0.68
ALDH1A1 P00352 1/20 0.68
PGR P06401 1/20 0.68
ABCB1 P08183 1/20 0.68
HTR1A P08908 1/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
MAPT P10636 1/20 0.68

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
SCHEMBL28927601 1.00 CYP3A4 (0.68) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL22123754 1.00 CYP3A4 (0.68) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL22123751 0.87 CYP3A4 (0.68) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL22364323 0.86 CYP3A4 (0.74) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL971609 0.86 CYP3A4 (0.74) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL17745131 0.86 CYP3A4 (0.74) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL4951603 0.84 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL2913540 0.82 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL8269408 0.82 CYP3A4 (0.77) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL17742222 0.82 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343062-A1 METHOD OF TREATING A VIRAL INFECTION USING ELVITEGRAVIR COMBINATIONS GILEAD SCIENCES, INC. (US) 2014-11-20 US disclosed
US-8889153-B2 Combination of immunomodulator and anti-pathogenic agent NUNES ISEU DA SILVA (BR) 2014-11-18 US disclosed
US-20110028385-A1 Combination of Immunomodulator and Anti-Pathogenic Agent NUNES ISEU DA SILVA 2011-02-03 US disclosed
US-20110009411-A1 THERAPEUTIC COMPOSITIONS AND THE USE THEREOF GILEAD SCIENCES ,INC. (CA) 2011-01-13 US disclosed
US-20090093482-A1 THERAPEUTIC COMPOSITIONS AND METHODS GILEAD SCIENCES, INC. (US) 2009-04-09 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-20090093482-A1 THERAPEUTIC COMPOSITIONS AND METHODS ACE, ACE2, CCR5 CYP3A4 78/4885CYP2D6 51/4885CYP2C9 394/4885
US-20140343062-A1 METHOD OF TREATING A VIRAL INFECTION USING ELVITEGRAVIR COMBINATIONS CCR5, ZC3HAV1, ABL1 CYP3A4 13/4885CYP2D6 37/4885CYP2C9 157/4885
US-20110009411-A1 THERAPEUTIC COMPOSITIONS AND THE USE THEREOF ACE, FURIN, CCR5 CYP3A4 75/4885CYP2D6 113/4885CYP2C9 421/4885

“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.