SCHEMBL3440680

SCHEMBL3440680

CCOC(=S)Sc1ccccc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ACHE P22303 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL168769 0.81 MMP2 (0.45) SMN1; SMN2LMNAACHEALDH1A1
SCHEMBL18113112 0.78 PKM (0.46) SMN1; SMN2RECQLL3MBTL1HTTPKM
SCHEMBL6459722 0.76 HTR2A (0.43) SMN1; SMN2LMNAHTTPKMCA12
SCHEMBL34475112 0.75 HTR7 (0.41) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL3440706 0.75 HTR7 (0.41) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL3440505 0.75 GABRA1 (0.38) SMN1; SMN2PDE3BPDE3A
SCHEMBL18113213 0.74 IAPP (0.44) SMN1; SMN2MAPTL3MBTL1LMNAACHE
SCHEMBL11855841 0.73 ALDH1A1 (0.41) SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL34474013 0.72 ALDH1A1 (0.36) SMN1; SMN2MAPTLMNACA2ALDH1A1
SCHEMBL263800 0.72 ALDH1A1 (0.44) SMN1; SMN2MAPTL3MBTL1LMNAALDH1A1

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
US-7807713-B2 Pan-antagonists for the androgen receptor and androgen associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2010-10-05 US disclosed
US-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-13 US disclosed
WO-2008013791-A2 PAN-ANTAGONISTS FOR THE ANDROGEN RECEPTOR AND ANDROGEN RECEPTOR MUTANTS ASSOCIATED WITH ANTI-ANDROGEN WITHDRAWAL UNIVERSITY OF DELAWARE (US) 2008-01-31 WO 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-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG SMN1; SMN2 4483/4885MAPT 4495/4885RECQL 4642/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG SMN1; SMN2 4483/4885MAPT 4495/4885RECQL 4642/4885

“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.