SCHEMBL3440477

SCHEMBL3440477

COc1ccccc1C(=O)c1ccccc1SC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
HSD17B10 Q99714 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.58
KMT2A Q03164 8/20 0.54
MEN1 O00255 6/20 0.54
ALDH1A1 P00352 4/20 0.51
CTSD P07339 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CNR2 P34972 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
STAT3 P40763 1/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL9669181 0.85 HTT (0.55) TSHRHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL29658169 0.85 CTSD (0.62) HSD17B10SMN1; SMN2CTSDRAB9ANPC1
SCHEMBL322168 0.85 CTSD (0.62) HSD17B10SMN1; SMN2CTSDRAB9ANPC1
SCHEMBL27789892 0.83 CTSD (0.60) HSD17B10SMN1; SMN2CTSDRAB9ANPC1
SCHEMBL8114706 0.79 ALDH1A1 (0.61) TSHRHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL11848920 0.79 KMT2A (0.55) TSHRHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL3440630 0.77 KMT2A (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL4060271 0.77 LMNA (0.62) TSHRHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL3440607 0.77 LMNA (0.49) TSHRHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL20520212 0.77 HSD17B10 (0.58) HSD17B10KMT2ACTSDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450374-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2013-05-28 US disclosed
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal UNIVERSITY OF DELAWARE 2010-12-30 US disclosed
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-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-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-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
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 (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-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG TSHR 461/4885HSD17B10 104/4885SMN1; SMN2 4483/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG TSHR 461/4885HSD17B10 104/4885SMN1; SMN2 4483/4885
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG TSHR 461/4885HSD17B10 104/4885SMN1; SMN2 4483/4885

“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.