SCHEMBL1194033

SCHEMBL1194033

Oc1ccccc1-c1csc(-c2ccccc2O)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
CASP3 P42574 1/20 0.80
SENP8 Q96LD8 1/20 0.80
SENP7 Q9BQF6 1/20 0.80
SENP6 Q9GZR1 1/20 0.80
CYP19A1 P11511 5/20 0.75
HTR2B P41595 2/20 0.59
SREBF2 Q12772 1/20 0.56
GSTO1 P78417 1/20 0.51
NPC1 O15118 4/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HCRTR1 O43613 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL13379242 0.89 RAB9A (1.00) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL6686670 0.82 TYR (0.66) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL8051617 0.81 RAB9A (0.76) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL1093303 0.81 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL11765529 0.81 RAB9A (0.58) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL8346886 0.79 ALDH1A1 (0.67) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL9830640 0.78 HTR2B (0.60) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL2048608 0.78 HTR2B (0.57) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL14098391 0.78 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL5778957 0.78 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2CASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 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 (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-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 RAB9A 3724/4885SMN1; SMN2 1914/4885CASP3 4423/4885

“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.