SCHEMBL20954574

SCHEMBL20954574

CC(=O)/C(=C/c1csc2ncccc12)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL29105696 0.83 TP53 (0.34) KDM4EIKBKBCHUKLIMK1CYP1A2
SCHEMBL22400499 0.83 TP53 (0.34) KDM4EIKBKBCHUKLIMK1CYP1A2
SCHEMBL20954626 0.82 ELANE (0.36) KDM4EIKBKBCHUKLIMK1SMN1; SMN2
SCHEMBL20954412 0.77 CYP2A6 (0.51) KDM4ENPC1RAB9ACYP1A2CYP3A4
SCHEMBL29105661 0.77 GRM4 (0.32) KAT2B
SCHEMBL29883624 0.74 MAPT (0.35) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL20954496 0.73 CYP2A6 (0.52) KDM4EIKBKBCHUKLIMK1NPC1
SCHEMBL9476304 0.71 RAB9A (0.41) KDM4ENPC1RAB9ACYP1A2CYP3A4
SCHEMBL9476299 0.71 RAB9A (0.41) KDM4ENPC1RAB9ACYP1A2CYP3A4
SCHEMBL11760944 0.70 KDM4E (0.45) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2

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
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 — — EP disclosed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 — — EP disclosed
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE, S.L. (ES) 2020-10-15 — — US disclosed
EP-3707143-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2020-09-16 — — EP disclosed
EP-3480201-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2019-05-08 — — EP 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-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS NR5A1, AR, NR3C1 KDM4E 3692/4885IKBKB 1155/4885CHUK 569/4885

“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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