SCHEMBL1863805

SCHEMBL1863805

CC(C)c1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
GAA P10253 1/20 0.46
RORC P51449 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTOR P42345 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL13883802 1.00 ALDH1A1 (0.56) ALDH1A1CRHBPCRHR2PTPN1PTPN6
SCHEMBL29522015 0.88 KLK7 (0.49) ALDH1A1CRHBPCRHR2GAARORC
SCHEMBL13125989 0.86 LMNA (0.43) ALDH1A1CRHBPCRHR2GAARORC
SCHEMBL6715547 0.81 CYP1A2 (0.44) ALDH1A1SMN1; SMN2LMNATSHRRAB9A
SCHEMBL26393799 0.80 MMP13 (0.42) ALDH1A1GAAMTOR
SCHEMBL27132340 0.78 MTOR (0.49) ALDH1A1GAASMN1; SMN2MTORLMNA
SCHEMBL13883806 0.78 ALDH1A1 (0.58) ALDH1A1CRHBPCRHR2PTPN1PTPN6
SCHEMBL1098257 0.78 ROCK2 (0.58) ALDH1A1
SCHEMBL1098258 0.78 ROCK2 (0.58) ALDH1A1
SCHEMBL6715886 0.78 TSHR (0.50) ALDH1A1GAASMN1; SMN2TSHRKDM4E

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-20120101143-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-CFTR and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-04-26 US disclosed
US-7939558-B2 Compounds having activity in increasing ion transport by mutant-CFTR and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-10 US disclosed
US-20080319008-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr 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-1765347-A4 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF UNIV CALIFORNIA (US) 2008-10-01 EP disclosed
EP-1765347-A2 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF The Regents of the University of California (US) 2007-03-28 EP disclosed
WO-2005120497-A2 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 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 (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-20080319008-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof CFTR, ABCC9, SLC26A4 ALDH1A1 2700/4885CRHBP 4552/4885CRHR2 4759/4885
US-20120101143-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-CFTR and Uses Thereof CFTR, ABCC9, ABCB11 ALDH1A1 2646/4885CRHBP 4599/4885CRHR2 4792/4885

“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.