SCHEMBL2901060

SCHEMBL2901060

Cc1cccc2sc(NC(=O)C(C)(C)C(c3ccccc3)c3ccccc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.61
▸ MAPT P10636 4/20 0.57
▸ NR3C1 P04150 6/20 0.54
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ LMNA P02545 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL2895550 0.87 ACP1 (0.60) ACP1MAPTNR3C1MEN1KMT2A
SCHEMBL2899015 0.85 ACP1 (0.63) ACP1MAPTNR3C1MEN1KMT2A
SCHEMBL2901429 0.83 CSNK1D (0.66) ACP1MAPTNR3C1MEN1KMT2A
SCHEMBL2899081 0.81 ACP1 (0.61) ACP1NR3C1PGRAR
SCHEMBL21821838 0.79 MAPT (0.76) ACP1MAPTMEN1KMT2ALMNA
SCHEMBL31504582 0.79 MAPT (0.67) ACP1MAPTMEN1KMT2ALMNA
SCHEMBL27003572 0.79 MAPT (0.67) ACP1MAPTMEN1KMT2ALMNA
SCHEMBL2899388 0.78 NR3C1 (0.62) ACP1MAPTNR3C1MEN1KMT2A
SCHEMBL2891915 0.78 ACP1 (0.62) ACP1MAPTNR3C1MEN1KMT2A
SCHEMBL2899832 0.78 CSNK1D (0.56) ACP1NR3C1MEN1KMT2ASMN1; SMN2

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 2239/4885MAPT 1222/4885NR3C1 10/4885

“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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