SCHEMBL21114065

SCHEMBL21114065

COc1ccccc1-c1ccc(Br)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
PTPN1 P18031 1/20 0.55
ALOX5AP P20292 1/20 0.52
FEN1 P39748 1/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
TNKS2 Q9H2K2 1/20 0.47
PDK2 Q15119 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
CHEK1 O14757 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5025945 0.84 ALOX5AP (0.56) PTPRCPTPN1ALOX5APFEN1PTGS1
SCHEMBL419231 0.78 NPC1 (0.59) PTPRCPTPN1TNKS2L3MBTL1NPC1
SCHEMBL21192815 0.78 KDM4E (0.42) ALOX5APFEN1L3MBTL1NPC1RAB9A
SCHEMBL21204291 0.78 KDM4E (0.42) ALOX5APFEN1PTGS1PTGS2L3MBTL1
SCHEMBL21114135 0.77 ALOX5AP (0.49) PTPRCPTPN1ALOX5APFEN1TNKS2
SCHEMBL3691088 0.76 ERN1 (0.57) PTPRCPTPN1ALOX5APFEN1PTGS1
SCHEMBL5690752 0.76 SQOR (0.55) PTPRCPTPN1ALOX5APFEN1PTGS2
SCHEMBL21114190 0.76 FEN1 (0.46) PTPRCALOX5APFEN1ARL3MBTL1
SCHEMBL21114099 0.75 KDM4E (0.46) ALOX5APFEN1L3MBTL1ALDH1A1TP53
SCHEMBL5478760 0.74 PTPRC (0.61) PTPRCPTPN1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 WO disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 PTPRC 3791/4885PTPN1 4277/4885ALOX5AP 1319/4885

“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.