Sugi Predict

Sugi Predict / Compounds / SCHEMBL2899063

SCHEMBL2899063

SCHEMBL2899063

CCOC(=O)c1sc(NC(=O)C(C)(C)C(c2ccccc2)c2ccccc2OC)nc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ HPGD P15428 5/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ NPC1 O15118 6/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ POLB P06746 2/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ CSNK1D P48730 3/20 0.50
▸ PKM P14618 1/20 0.50
▸ KCNH2 Q12809 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
SCHEMBL2896326 0.90 MEN1 (0.66) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL2900944 0.89 NPC1 (0.60) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL2896324 0.86 MEN1 (0.56) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL2893421 0.86 MEN1 (0.60) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL2901509 0.85 NPC1 (0.53) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2901518 0.84 RXFP1 (0.65) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL2893538 0.83 MEN1 (0.57) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL2900216 0.83 MEN1 (0.57) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL2901202 0.82 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL2900246 0.81 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1

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 SMN1; SMN2 3477/4885ALDH1A1 4179/4885HPGD 3457/4885

“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.