SCHEMBL5255266

SCHEMBL5255266

COc1ccc2c(-c3cs[c]n3)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
RIPK3 Q9Y572 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17626156 0.87 RIPK3 (0.41) CYP11B1CYP11B2CYP3A4RIPK3NPC1
SCHEMBL4722038 0.80 ALDH1A1 (0.33) CYP1B1KDM4EMEN1MAPTKMT2A
SCHEMBL3858714 0.78 HTR2C (0.40) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL12592172 0.77 NPC1 (0.54) NPC1RAB9ACYP1A1CYP1B1KDM4E
SCHEMBL5260849 0.76 CYP1A2 (0.40) CYP1A2CYP2A6CYP11B1CYP11B2CYP3A4
SCHEMBL2750142 0.76 KMT2A (0.48) NPC1CYP1A1CYP1B1KDM4EMEN1
SCHEMBL1435812 0.76 CYP1A1 (0.57) CYP1A2CYP2A6CYP3A4CYP2D6CYP2C9
SCHEMBL500272 0.74 CYP19A1 (0.49) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL2073314 0.73 AMY1A (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6869951 0.71 CYP1A2 (0.44) CYP1A2CYP2A6CYP11B1CYP11B2CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534273-A4 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-08-22 EP disclosed
US-6995181-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB CO. (US) 2006-02-07 US disclosed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US disclosed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO 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-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R CYP1A2 937/4885CYP2A6 943/4885CYP11B1 57/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 CYP1A2 673/4885CYP2A6 668/4885CYP11B1 67/4885

“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.