SCHEMBL8190332

SCHEMBL8190332

CC(C)Cc1ccc2cnsc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ROCK2 O75116 1/20 0.39
TRPM5 Q9NZQ8 5/20 0.38
ABL1 P00519 1/20 0.37
TRPA1 O75762 1/20 0.37
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
XDH P47989 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL8225475 0.86 TRPM5 (0.41) GABRA1GABRB2TRPM5ABL1TRPA1
SCHEMBL8179146 0.80 SMN1; SMN2 (0.46) ROCK2TRPM5TRPA1SLC6A2SLC6A4
SCHEMBL28148875 0.77 ROCK2 (0.50) ROCK2TRPM5TRPA1SLC6A2SLC6A4
SCHEMBL22423811 0.76 TRPM5 (0.38) ROCK2TRPM5TRPA1SLC6A2SLC6A4
SCHEMBL12357 0.74 CYP1A2 (0.44) TRPM5TRPA1SLC6A2SLC6A4SLC6A3
SCHEMBL12482766 0.73 RAB9A (0.46) ROCK2TRPM5TRPA1SLC6A2SLC6A4
SCHEMBL28292686 0.72 HTR2A (0.57) GABRA1GABRB2ABL1HTR2AHTR2C
SCHEMBL12853146 0.71 GABRA1 (0.42) GABRA1GABRB2ABL1HTR2AHTR2C
SCHEMBL2467449 0.71 ABL1 (0.47) GABRA1GABRB2ABL1HTR2AHTR2C
SCHEMBL8221541 0.70 GABRA1 (0.41) GABRA1GABRB2ABL1HTR2AHTR2C

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2019-01-31 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
WO-2008063670-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (11 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 GABRA1 2177/4885GABRB2 1169/4885ROCK2 4085/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 GABRA1 2275/4885GABRB2 1306/4885ROCK2 1967/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GABRA1 2275/4885GABRB2 1306/4885ROCK2 1967/4885
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 GABRA1 2193/4885GABRB2 1979/4885ROCK2 1660/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GABRA1 2275/4885GABRB2 1306/4885ROCK2 1967/4885
US-20190031709-A1 C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS IL17A, BET1, CD4 GABRA1 745/4885GABRB2 1153/4885ROCK2 3764/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GABRA1 2275/4885GABRB2 1306/4885ROCK2 1967/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 GABRA1 2193/4885GABRB2 1979/4885ROCK2 1660/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 GABRA1 3522/4885GABRB2 3148/4885ROCK2 4055/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 GABRA1 4512/4885GABRB2 3709/4885ROCK2 1984/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GABRA1 2275/4885GABRB2 1306/4885ROCK2 1967/4885

“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.