SCHEMBL12104019

SCHEMBL12104019

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)NCCSSCCO[N+](=O)[O-])O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 12/20 0.66
▸ PGR P06401 8/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ HIF1A Q16665 2/20 0.66
▸ ABCC3 O15438 1/20 0.66
▸ ABCC4 O15439 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ IL5 P05113 1/20 0.66
▸ NR3C2 P08235 1/20 0.66
▸ AR P10275 1/20 0.66
▸ CHRM1 P11229 1/20 0.66
▸ MMP9 P14780 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ THPO P40225 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ PMP22 Q01453 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66

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
SCHEMBL12103778 0.91 NR3C1 (0.66) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL21569934 0.90 NR3C1 (0.72) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL21153569 0.89 NR3C1 (0.69) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL4445957 0.88 NR3C1 (0.75) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL21152871 0.88 NR3C1 (0.74) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL21152601 0.88 NR3C1 (0.74) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL13816838 0.87 NR3C1 (0.73) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL4452247 0.87 NR3C1 (0.73) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL12103378 0.86 NR3C1 (0.47) NR3C1PGRCYP3A4HIF1AABCC3
SCHEMBL13491175 0.86 NR3C1 (0.65) NR3C1PGRCYP3A4HIF1AABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357723-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-22 — — US disclosed
US-8357723-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-22 — — US disclosed
US-8354455-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-15 — — US disclosed
US-8354455-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-15 — — US disclosed
US-8349901-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-08 — — US disclosed
US-8349901-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-08 — — US disclosed
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-10 — — US disclosed
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-10 — — US disclosed
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-03 — — US disclosed
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-03 — — US disclosed
US-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS Piramal Life Science Limited 2011-11-03 — — US disclosed
US-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS Piramal Life Science Limited 2011-11-03 — — US disclosed
US-7932294-B2 Prodrugs containing novel bio-cleavable linkers APPARAO SATYAM (IN) 2011-04-26 — — US disclosed
US-7932294-B2 Prodrugs containing novel bio-cleavable linkers APPARAO SATYAM (IN) 2011-04-26 — — 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 (3 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-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 NR3C1 4365/4885PGR 1386/4885CYP3A4 21/4885
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 NR3C1 4365/4885PGR 1386/4885CYP3A4 21/4885
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 NR3C1 4365/4885PGR 1386/4885CYP3A4 21/4885

“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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