SCHEMBL1466935

SCHEMBL1466935

CCc1cccc2c(C(=O)O)c[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
LMNA P02545 3/20 0.74
HTT P42858 2/20 0.74
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPT P10636 4/20 0.63
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
MAPK1 P28482 1/20 0.63
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
UBE2N P61088 1/20 0.61
TSHR P16473 1/20 0.56
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 2/20 0.50
BRPF1 P55201 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2977296 0.91 TSHR (0.64) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL4463207 0.89 ALDH1A1 (0.60) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL5943223 0.89 ALDH1A1 (0.68) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL16453789 0.87 ALDH1A1 (0.80) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL16453792 0.85 ALDH1A1 (0.68) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL8713083 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL10368679 0.81 ALDH1A1 (0.67) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL7004599 0.81 ALDH1A1 (0.62) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL10675123 0.81 ALDH1A1 (0.62) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL6131640 0.80 ALDH1A1 (0.57) ALDH1A1LMNAHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
EP-1990335-A1 17 BETA HSD TYPE 5 INHIBITOR Astellas Pharma Inc. (JP) 2008-11-12 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-20110071146-A1 17BetaHSD Type 5 Inhibitor CYP17A1, HSD17B3, HSD3B1 ALDH1A1 915/4885LMNA 475/4885HTT 1050/4885
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer CYP17A1, HSD17B3, HSD17B1 ALDH1A1 183/4885LMNA 894/4885HTT 1162/4885

“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.