SCHEMBL10090672

SCHEMBL10090672

COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cccs1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 1.00
HTT P42858 3/20 1.00
SMN1; SMN2 Q16637 5/20 0.78
NPSR1 Q6W5P4 4/20 0.76
LMNA P02545 7/20 0.74
NPC1 O15118 2/20 0.72
KMT2A Q03164 2/20 0.69
RAB9A P51151 1/20 0.69
POLB P06746 7/20 0.61
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TP53 P04637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ESR1 P03372 2/20 0.51
PKM P14618 2/20 0.51
RECQL P46063 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL10090761 0.89 SMN1; SMN2 (0.86) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL10090741 0.88 HTT (0.79) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL16217081 0.87 TSHR (0.78) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL10090713 0.86 TSHR (0.76) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL10090710 0.85 SMN1; SMN2 (0.76) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL10090728 0.84 SMN1; SMN2 (0.75) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL10090735 0.83 TSHR (0.71) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL10090671 0.80 SMN1; SMN2 (0.72) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL5211620 0.79 TSHR (0.65) TSHRHTTSMN1; SMN2NPSR1LMNA
SCHEMBL2016416 0.78 POLB (0.80) TSHRHTTSMN1; SMN2NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF TSHR 2099/4885HTT 4565/4885SMN1; SMN2 4322/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 TSHR 4745/4885HTT 15/4885SMN1; SMN2 53/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF TSHR 2099/4885HTT 4565/4885SMN1; SMN2 4322/4885

“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.