SCHEMBL2895550

SCHEMBL2895550

CC(C)(C(=O)Nc1nc2c(Cl)cccc2s1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 3/20 0.60
▸ NR3C1 P04150 7/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ GAA P10253 2/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ PGR P06401 1/20 0.48
▸ AR P10275 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SENP7 Q9BQF6 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CASR P41180 1/20 0.47
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45

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
SCHEMBL2901060 0.87 ACP1 (0.61) ACP1NR3C1KMT2AMAPK1PGR
SCHEMBL2899015 0.84 ACP1 (0.63) ACP1NR3C1KMT2AGAAMAPK1
SCHEMBL2901429 0.82 CSNK1D (0.66) ACP1NR3C1KMT2AGAAPGR
SCHEMBL2898880 0.82 NR3C1 (0.53) ACP1NR3C1PGRARCSNK1D
SCHEMBL14214866 0.80 ACP1 (0.48) ACP1KMT2AGAAMAPK1TSHR
SCHEMBL27004443 0.79 KMT2A (0.60) ACP1KMT2AGAAMAPK1TSHR
SCHEMBL2891915 0.77 ACP1 (0.62) ACP1NR3C1KMT2AMEN1MAPT
SCHEMBL2899388 0.77 NR3C1 (0.62) ACP1NR3C1KMT2AGAAPGR
SCHEMBL2899832 0.77 CSNK1D (0.56) ACP1NR3C1KMT2APGRAR
SCHEMBL30754208 0.76 DYRK1A (0.71) ACP1KMT2AGAAMAPK1TSHR

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 ACP1 2239/4885NR3C1 10/4885KMT2A 2852/4885

“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.

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