SCHEMBL2829587

SCHEMBL2829587

CC(C)(C)c1ccc([N+](=O)[O-])c(O)c1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
GALR3 O60755 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR35 Q9HC97 4/20 0.47
AR P10275 1/20 0.40
ERN1 O75460 1/20 0.39
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
CTSB P07858 1/20 0.37
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL2032952 0.86 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL6232013 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL22712664 0.83 TDP1 (0.40) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL8812139 0.82 GPR35 (0.49) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL2135932 0.76 GPR35 (0.64) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL18688898 0.75 SMN1; SMN2 (0.44) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL25382014 0.74 SMN1; SMN2 (0.47) SMN1; SMN2MEN1HTTKMT2AL3MBTL1
SCHEMBL11529022 0.74 TDP1 (0.50) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL10906475 0.74 CA2 (0.56) SMN1; SMN2HTTTSHRNPSR1ALDH1A1
SCHEMBL3083253 0.73 GPR35 (0.71) SMN1; SMN2MEN1KMT2AGPR35ERN1

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-9676722-B2 Industrial process for making an Ivacaftor and its intermediates OPTIMUS DRUGS PRIVATE LIMITED (IN) 2017-06-13 US claimed
WO-2017060779-A1 INDUSTRIAL PROCESS FOR MAKING AN IVACAFTOR AND ITS INTERMEDIATES OPTIMUS DRUGS (P) LIMITED (IN) 2017-04-13 WO claimed
US-20170096397-A1 Industrial Process for Making an Ivacaftor and its Intermediates OPTIMUS DRUGS PRIVATE LIMITED (IN) 2017-04-06 US claimed
CN-119033710-A Pharmaceutical composition for treating cystic fibrosis 弗特克斯药品有限公司 2024-11-29 CN disclosed
CN-111818918-B Pharmaceutical composition for treating cystic fibrosis 弗特克斯药品有限公司 2024-08-23 CN disclosed
US-9676722-B2 Industrial process for making an Ivacaftor and its intermediates OPTIMUS DRUGS PRIVATE LIMITED (IN) 2017-06-13 US disclosed
WO-2017060779-A1 INDUSTRIAL PROCESS FOR MAKING AN IVACAFTOR AND ITS INTERMEDIATES OPTIMUS DRUGS (P) LIMITED (IN) 2017-04-13 WO disclosed
US-20170096397-A1 Industrial Process for Making an Ivacaftor and its Intermediates OPTIMUS DRUGS PRIVATE LIMITED (IN) 2017-04-06 US disclosed
US-8269029-B2 Water repellent metal-organic frameworks, process for making and uses regarding same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-18 US disclosed
US-20100075123-A1 WATER REPELLENT METAL-ORGANIC FRAMEWORKS, PROCESS FOR MAKING AND USES REGARDING SAME University of Illinois - Office of Technology Management (US) 2010-03-25 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 (1 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-20170096397-A1 Industrial Process for Making an Ivacaftor and its Intermediates COASY, SLC10A2, ACVR1 SMN1; SMN2 2684/4885MEN1 3497/4885GALR3 4051/4885

“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.