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Sugi Predict / Compounds / SCHEMBL10169797

SCHEMBL10169797

SCHEMBL10169797

CCOC(=O)[C@@]1(C)Cc2sc(Br)cc2[C@H]1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ OPRM1 P35372 3/20 0.35
▸ DHFR P00374 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ SLC22A1 O15245 1/20 0.34

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
SCHEMBL10169822 0.88 MEN1 (0.38) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL10169794 0.84 HHAT (0.33) ALDH1A1MEN1KMT2A
SCHEMBL490748 0.84 HHAT (0.33) ALDH1A1MEN1KMT2A
SCHEMBL10169784 0.82 SMN1; SMN2 (0.43) SMN1; SMN2GAATP53ALDH1A1KDM4E
SCHEMBL10169793 0.75 GAA (0.38) SMN1; SMN2GAATP53ALDH1A1KDM4E
SCHEMBL490263 0.74 HTR7 (0.34) L3MBTL1OPRK1
SCHEMBL10169820 0.74 HTR7 (0.34) L3MBTL1OPRK1
SCHEMBL10211128 0.74 HTR7 (0.34) L3MBTL1OPRK1
SCHEMBL490413 0.72 NR3C1 (0.55) SMN1; SMN2GAAKDM4ECYP3A4CYP1A2
SCHEMBL490417 0.72 NR3C1 (0.55) SMN1; SMN2GAAKDM4ECYP3A4CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106046-B2 Cyclopentathiophene modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-31 — — US disclosed
US-8106046-B2 Cyclopentathiophene modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-31 — — US disclosed
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 — — US disclosed
US-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 — — 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-20110105495-A1 CYCLOPENTATHIOPHENE MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFKB1, NFRKB SMN1; SMN2 4710/4885GAA 4287/4885TP53 2557/4885

“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.