SCHEMBL12748352

SCHEMBL12748352

Fc1c(Cl)cc(Cl)c2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
RIPK1 Q13546 1/20 0.38
AHR P35869 1/20 0.36
CCR8 P51685 1/20 0.35
KMT2A Q03164 1/20 0.34
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34
P2RX7 Q99572 4/20 0.33
AR P10275 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
RHEB Q15382 3/20 0.32
DYRK1A Q13627 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24215565 0.86 TNF (0.41) TNFRIPK1AHRCCR8KMT2A
SCHEMBL31527469 0.82 CSNK2A1 (0.38) TNFRIPK1AHRCCR8KMT2A
SCHEMBL31357988 0.78 TNF (0.46) TNFRIPK1AHRCCR8KMT2A
SCHEMBL2123165 0.75 P2RX7 (0.41) TNFRIPK1AHRCCR8KMT2A
SCHEMBL21243088 0.75 CSNK2A1 (0.42) TNFRIPK1AHRCCR8KMT2A
SCHEMBL24786395 0.75 TNF (0.43) TNFRIPK1AHRCCR8KMT2A
SCHEMBL6437291 0.72 TNF (0.48) TNFRIPK1AHRCCR8KMT2A
SCHEMBL29991075 0.71 TNF (0.47) TNFRIPK1AHRCCR8KMT2A
SCHEMBL31341960 0.71 CSNK2A1 (0.38) TNFRIPK1AHRCCR8KMT2A
SCHEMBL820394 0.70 CCR8 (0.37) TNFRIPK1CCR8KMT2AP2RX7

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 6 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-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

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 TNF 3331/4885RIPK1 2929/4885AHR 118/4885
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 TNF 2693/4885RIPK1 2520/4885AHR 94/4885

“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.