SCHEMBL860875

SCHEMBL860875

CCCCCc1[c]ccc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.40
STS P08842 2/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP3A4 P08684 3/20 0.32
PTGS2 P35354 3/20 0.32
TP53 P04637 2/20 0.31
KCNH2 Q12809 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL11445102 0.98 GHSR (0.42) GHSRSTSPGRRORARORC
SCHEMBL1775664 0.98 GHSR (0.42) GHSRSTSPGRRORARORC
SCHEMBL9485874 0.95 GHSR (0.35) GHSRPGRRORARORCRORB
SCHEMBL463350 0.85 TRPV1 (0.40) HDAC3HDAC1HDAC2KCNH2KDM4E
SCHEMBL8939710 0.82 L3MBTL1 (0.39) KCNH2MEN1ALOX15KMT2A
SCHEMBL4468701 0.80 ALDH1A1 (0.34) MEN1MAPTALOX15TSHRKMT2A
SCHEMBL4591889 0.77 PTGS2 (0.34) CYP3A4PTGS2TP53KCNH2MEN1
SCHEMBL1940072 0.77 PTGS2 (0.37) CYP3A4PTGS2TP53KCNH2MEN1
SCHEMBL677464 0.77 PTGS2 (0.42) CYP3A4PTGS2TP53ESR1ADRA2A
SCHEMBL8709834 0.75 PTGS2 (0.36) CYP3A4PTGS2TP53KCNH2MEN1

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-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US claimed
US-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-08-09 US disclosed
US-9987256-B2 CFTR corrector for the treatment of genetic disorders affecting striated muscle UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-06-05 US disclosed
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2015-11-19 US disclosed
EP-2925317-A1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE Università Degli Studi Di Padova (IT) 2015-10-07 EP disclosed
WO-2014086687-A1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2014-06-12 WO disclosed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
EP-1863522-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-12 EP disclosed
WO-2006101740-A2 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-28 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 (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-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A GHSR 2183/4885STS 1250/4885PGR 4494/4885
US-20150328217-A1 A CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A GHSR 2156/4885STS 1061/4885PGR 4342/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT GHSR 4458/4885STS 2609/4885PGR 4877/4885

“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.