Sugi Predict

Sugi Predict / Compounds / SCHEMBL2896133

SCHEMBL2896133

SCHEMBL2896133

COc1cccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nc3ccc(Cl)cc3s2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCLK1 O15075 1/20 0.53
▸ FES P07332 1/20 0.53
▸ PIM1 P11309 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ IRAK1 P51617 1/20 0.53
▸ MAP4K2 Q12851 1/20 0.53
▸ NTRK3 Q16288 1/20 0.53
▸ HIPK4 Q8NE63 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ STK17A Q9UEE5 1/20 0.53
▸ MAP4K5 Q9Y4K4 1/20 0.53
▸ CSNK1G3 Q9Y6M4 1/20 0.53
▸ CSNK1D P48730 5/20 0.52
▸ ACP1 P24666 2/20 0.52
▸ SCD O00767 5/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL2903895 0.93 NR3C1 (0.58) DCLK1FESPIM1CDK2GSK3A
SCHEMBL2893909 0.90 NPC1 (0.60) CSNK1DACP1SCDKMT2AMEN1
SCHEMBL2899722 0.89 DCLK1 (0.58) DCLK1FESPIM1CDK2GSK3A
SCHEMBL2899602 0.89 SCD (0.64) CSNK1DACP1SCDKMT2AMEN1
SCHEMBL2896658 0.88 ACP1 (0.54) CSNK1DACP1SCDKMT2AMEN1
SCHEMBL2898821 0.87 CSNK1D (0.59) DCLK1FESPIM1CDK2GSK3A
SCHEMBL2901226 0.86 NR3C1 (0.56) CSNK1DACP1SCDKMT2AMEN1
SCHEMBL2900064 0.83 ACP1 (0.53) CSNK1DACP1KMT2AMEN1NPC1
SCHEMBL12592547 0.83 CSNK1D (0.55) DCLK1FESPIM1CDK2GSK3A
SCHEMBL12592702 0.81 DYRK1A (0.58) ACP1KMT2AMEN1NPC1POLB

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
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — 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 (1 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA DCLK1 3884/4885FES 2395/4885PIM1 1022/4885

“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.