SCHEMBL1282273

SCHEMBL1282273

CC(C)(C)C(O)(CCCCOc1ccc(F)cc1Cl)Cn1ncnc1S

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.37
PPARD Q03181 5/20 0.37
PPARG P37231 3/20 0.37
DHFR P00374 2/20 0.37
S1PR4 O95977 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
NR3C1 P04150 2/20 0.32
NR3C2 P08235 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL1282368 0.99 PPARA (0.37) PPARAPPARDPPARGDHFRS1PR4
SCHEMBL1282240 0.97 DHFR (0.38) PPARAPPARDPPARGDHFRS1PR4
SCHEMBL1282429 0.90 HPGD (0.40) S1PR4SMN1; SMN2NPC1RAB9AGAA
SCHEMBL1281730 0.90 HSP90AB1 (0.32) POLBNR3C1NR3C2ALDH1A1LMNA
SCHEMBL1282510 0.89 HPGD (0.39) S1PR4SMN1; SMN2NPC1RAB9AGAA
SCHEMBL1281978 0.89 HSP90AB1 (0.32) S1PR4POLBALDH1A1LMNA
SCHEMBL1283456 0.88 L3MBTL1 (0.39) PPARAPPARDPPARGSMN1; SMN2NPC1
SCHEMBL1282197 0.87 HPGD (0.41) S1PR4SMN1; SMN2NPC1RAB9AGAA
SCHEMBL1282161 0.87 HSP90AB1 (0.33) POLBNR3C1NR3C2ALDH1A1LMNA
SCHEMBL1283213 0.87 L3MBTL1 (0.38) PPARAPPARDPPARGSMN1; SMN2NPC1

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
EP-2443098-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
US-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 US disclosed
WO-2010146112-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-23 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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 PPARA 4422/4885PPARD 2997/4885PPARG 3932/4885

“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.