SCHEMBL2960090

SCHEMBL2960090

COC(=O)c1ccc2scc(C=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.53
ALDH1A1 P00352 6/20 0.47
ERN1 O75460 7/20 0.47
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2943724 0.89 ERN1 (0.59) CYP2A6ALDH1A1ERN1CA12CA1
SCHEMBL2259954 0.83 NOTUM (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL20954434 0.81 CYP2A6 (0.58) CYP2A6ALDH1A1ERN1CA12CA1
SCHEMBL13201395 0.80 CYP2A6 (0.49) CYP2A6ALDH1A1CA12CA1CA2
SCHEMBL8139083 0.79 KDM4E (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL2968704 0.77 CYP2A6 (0.47) CYP2A6ALDH1A1CA12CA1CA2
SCHEMBL12365381 0.76 KDM4E (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL6152697 0.75 CYP2A6 (0.58) CYP2A6ALDH1A1ERN1KDM4EHPGD
SCHEMBL20954533 0.75 CYP2A6 (0.48) CYP2A6ERN1MEN1LMNAKMT2A
SCHEMBL19435976 0.74 NPC1 (0.41) ALDH1A1CA12CA1CA2CA7

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
CN-111491935-B Novel analogs as modulators of androgen and glucocorticoid receptors 昂科斯特拉公司 2023-08-22 CN disclosed
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
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 EP disclosed
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators ONCOSTELLAE, S.L. 2022-09-27 US disclosed
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE, S.L. (ES) 2020-10-15 US 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
CN-111491935-A Novel analogs as androgen receptor and glucocorticoid receptor modulators 昂科斯特拉公司 2020-08-04 CN disclosed
EP-3480201-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2019-05-08 EP disclosed
EP-3480201-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2019-05-08 EP disclosed
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 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 (2 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 CYP2A6 511/4885ALDH1A1 1672/4885ERN1 4241/4885
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators AR, NR5A1, NR3C1 CYP2A6 445/4885ALDH1A1 1496/4885ERN1 4311/4885

“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.