SCHEMBL1282240

SCHEMBL1282240

CC(C)(C)C(O)(CCCOc1ccc(F)cc1Cl)Cn1ncnc1S

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.38
S1PR4 O95977 1/20 0.36
PPARA Q07869 8/20 0.36
PPARD Q03181 5/20 0.36
PPARG P37231 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NR3C1 P04150 3/20 0.32
NR3C2 P08235 3/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 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
SCHEMBL1282273 0.97 PPARA (0.37) DHFRS1PR4PPARAPPARDPPARG
SCHEMBL1282368 0.96 PPARA (0.37) DHFRS1PR4PPARAPPARDPPARG
SCHEMBL1282197 0.90 HPGD (0.41) S1PR4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1282161 0.90 HSP90AB1 (0.33) POLBNR3C1NR3C2ALDH1A1LMNA
SCHEMBL1282196 0.87 RAB9A (0.38) PPARAPPARDPPARGSMN1; SMN2NPC1
SCHEMBL1282429 0.87 HPGD (0.40) S1PR4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1281730 0.87 HSP90AB1 (0.32) POLBNR3C1NR3C2ALDH1A1LMNA
SCHEMBL1281907 0.86 DHFR (0.32) DHFRNR3C1NR3C2ALDH1A1PGR
SCHEMBL1282264 0.86 S1PR4 (0.36) S1PR4PPARAPPARDPPARGSMN1; SMN2
SCHEMBL1281978 0.86 HSP90AB1 (0.32) S1PR4POLBALDH1A1LMNACYP3A4

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 DHFR 227/4885S1PR4 2670/4885PPARA 4422/4885

“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.