SCHEMBL4243227

SCHEMBL4243227

O=C1CCCc2ccc(-c3cccs3)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 1/20 0.48
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
CYP2A6 P11509 1/20 0.46
SRD5A1 P18405 1/20 0.43
KCNH2 Q12809 1/20 0.42
PGR P06401 2/20 0.41
HSD17B1 P14061 1/20 0.41
ERN1 O75460 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
PDK2 Q15119 1/20 0.39
ADORA1 P30542 1/20 0.38
PRKCI P41743 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7505848 0.88 HSD17B1 (0.55) SLC6A11MAOAMAOBCYP2A6SRD5A1
SCHEMBL10072395 0.82 KCNH2 (0.42) SLC6A11SRD5A1KCNH2PGRERN1
SCHEMBL10410607 0.80 KCNH2 (0.50) SLC6A11CYP2A6SRD5A1KCNH2PGR
SCHEMBL10044910 0.79 KCNH2 (0.41) SLC6A11SRD5A1KCNH2PGRERN1
SCHEMBL3460160 0.78 HSD17B1 (0.53) SLC6A11SRD5A1KCNH2PGRHSD17B1
SCHEMBL1926437 0.77 KCNH2 (0.50) SLC6A11SRD5A1KCNH2PGRERN1
SCHEMBL8218486 0.77 SLC6A11 (0.52) SLC6A11SRD5A1KCNH2PGRERN1
SCHEMBL15571302 0.77 SLC6A11 (0.52) SLC6A11
SCHEMBL5211178 0.76 MAOA (0.58) MAOAMAOBCYP2A6HSD17B1PRKCI
SCHEMBL29395799 0.76 MAOA (0.58) MAOAMAOBCYP2A6HSD17B1PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
US-8268776-B2 mixture of cytochrome P450 monooxygenase inhibitor and protease inhibitor for anti-hepatitis C viral treatment; including other active drugs as interferon, ribavarin, and adamantine ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-2037947-A2 MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-07-31 US disclosed
WO-2007143694-A2 MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-13 WO disclosed
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 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 (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-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN SLC6A11 4492/4885MAOA 560/4885MAOB 393/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN SLC6A11 4492/4885MAOA 560/4885MAOB 393/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 SLC6A11 4487/4885MAOA 624/4885MAOB 521/4885

“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.