SCHEMBL5452020

SCHEMBL5452020

Fc1ccc(-c2cccc(Br)c2F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
TRPV3 Q8NET8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
CYP1A2 P05177 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
BCHE P06276 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL31435723 0.87 CTSL (0.45) CTSLCTSSCTSKPIK3R1PIK3CA
SCHEMBL4328219 0.81 CTSL (0.46) CTSLCTSSCTSKPIK3R1PIK3CA
SCHEMBL5716618 0.78 CTSL (0.44) CTSLCTSSCTSKTRPV3ALDH1A1
SCHEMBL29384418 0.76
SCHEMBL361070 0.76
SCHEMBL31435768 0.76 ALDH1A1 (0.44) PIK3R1PIK3CAALDH1A1MAPK1CES2
SCHEMBL22675250 0.74 ALDH1A1 (0.39) PIK3CAALDH1A1MAPK1PDE3BPDE3A
SCHEMBL21755999 0.74 CXCR2 (0.44) ALDH1A1PDK2
SCHEMBL577838 0.73 KDM1A (0.41) CES2CES1
SCHEMBL29544666 0.73 KDM1A (0.41) CES2CES1

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-20070078149-A1 6-(2-Halophenyl)triazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 US disclosed
EP-1697367-A1 6-(2-HALOPHENYL)-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION AND THEIR USE FOR COMBATING PATHOGENIC FUNGI, IN ADDITION TO AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2006-09-06 EP disclosed
WO-2005058907-A1 6-(2-HALOPHENYL)-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION AND THEIR USE FOR COMBATING PATHOGENIC FUNGI, IN ADDITION TO AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2005-06-30 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 (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-20070078149-A1 6-(2-Halophenyl)triazolopyrimidines, their preparation and their use for controlling harmful fungi, and compositions comprising these compounds CBR1, CBR3, HDHD5 CTSL 2244/4885CTSS 3573/4885CTSK 3870/4885

“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.