SCHEMBL8204639

SCHEMBL8204639

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.80
▸ HIF1A Q16665 7/20 0.80
▸ CYP3A4 P08684 7/20 0.80
▸ NR3C1 P04150 6/20 0.80
▸ PGR P06401 6/20 0.80
▸ NR1I2 O75469 1/20 0.80
▸ NPSR1 Q6W5P4 2/20 0.71
▸ MAPT P10636 2/20 0.71
▸ USP2 O75604 2/20 0.71
▸ CNR1 P21554 1/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ AR P10275 3/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HSD17B10 Q99714 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ NFKB1 P19838 1/20 0.56

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
SCHEMBL13524485 0.91 LMNA (0.83) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL14114135 0.91 LMNA (0.83) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL11864138 0.91 LMNA (0.72) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL124165 0.90 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL11422147 0.90 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL28971361 0.90 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL15975096 0.90 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL14884636 0.90 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL13985471 0.90 LMNA (0.81) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL1973547 0.90 HIF1A (0.81) LMNAHIF1ACYP3A4NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059237-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2024-03-21 — — WO disclosed
US-20210252159-A1 CONJUGATES OF CARTILAGE-HOMING PEPTIDES FRED HUTCHINSON CANCER CENTER 2021-08-19 — — US disclosed
EP-0876393-B1 21-(2-OXO-TETRAHYDROFURAN)-THIO PREGNANE DERIVATIVES, A PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LTD (GB) 2000-07-05 — — EP disclosed
US-6013244-A AS ANTI-INFLAMMATORY OR ANTI-ALLERGIC AGENTS GLAXO WELLCOME INC. (US) 2000-01-11 — — US disclosed
US-3975378-A ANTIINFLAMMATORY SYNTEX (U.S.A.) INC. (US) 1976-08-17 — — 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-20210252159-A1 CONJUGATES OF CARTILAGE-HOMING PEPTIDES CD44, MATR3, CCL2 LMNA 2456/4885HIF1A 1623/4885CYP3A4 4881/4885

“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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