SCHEMBL5260087

SCHEMBL5260087

Oc1ccc2ccccc2c1-c1cs[c]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.42
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.39
USP2 O75604 1/20 0.39
PAK1 Q13153 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NSD2 O96028 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL5259185 0.78 KMT2A (0.60) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL17626122 0.76 ALOX5 (0.49) HSD17B10MAPTKDM4EALDH1A1KMT2A
SCHEMBL6050951 0.76 IDO1 (0.45) POLBCYP1A2HSD17B10MAPTKDM4E
SCHEMBL3858714 0.73 HTR2C (0.40) HSD17B10MAPTKDM4EALDH1A1KMT2A
SCHEMBL29027 0.73 PTPN22 (0.65) PTPN22POLBCYP1A2USP2PAK1
SCHEMBL29362162 0.73 PTPN22 (0.65) PTPN22POLBCYP1A2USP2PAK1
SCHEMBL15400598 0.73 PTPN22 (0.65) PTPN22POLBCYP1A2USP2PAK1
SCHEMBL14198212 0.73 PTPN22 (0.50) PTPN22POLBCYP1A2USP2PAK1
SCHEMBL7079062 0.71 KDM4E (0.53) PTPN22POLBCYP1A2USP2PAK1
Methane SCHEMBL10406101 0.71 PTPN22 (0.62) PTPN22POLBCYP1A2USP2PAK1

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 PTPN22 412/4885POLB 3511/4885CYP1A2 937/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 PTPN22 201/4885POLB 4413/4885CYP1A2 673/4885

“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.