SCHEMBL1281978

SCHEMBL1281978

CC(C)(C)C(O)(CCCCCOc1ccc(F)cc1F)Cn1ncnc1S

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.32
GRM2 Q14416 1/20 0.32
LMNA P02545 2/20 0.31
MAPK14 Q16539 2/20 0.31
MAPK1 P28482 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP51A1 Q16850 1/20 0.31
LTB4R Q15722 2/20 0.30
LTB4R2 Q9NPC1 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1281730 0.99 HSP90AB1 (0.32) HSP90AB1GRM2LMNAMAPK14MAPK1
SCHEMBL1282161 0.96 HSP90AB1 (0.33) HSP90AB1GRM2LMNAMAPK14MAPK1
SCHEMBL1282307 0.90 S1PR4 (0.35) LMNACYP3A4CYP2C19LTB4RLTB4R2
SCHEMBL1282368 0.90 PPARA (0.37) LMNAALDH1A1POLBS1PR4
SCHEMBL1282353 0.90 MAPK1 (0.41) MAPK1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1281725 0.89 S1PR4 (0.36) LMNAMAPK1CYP3A4CYP2C19LTB4R
SCHEMBL1282273 0.89 PPARA (0.37) LMNAALDH1A1POLBS1PR4
SCHEMBL1282133 0.89 MAPK1 (0.42) MAPK1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1282264 0.86 S1PR4 (0.36) LMNAMAPK1CYP3A4CYP2C19MEN1
SCHEMBL1282240 0.86 DHFR (0.38) LMNACYP3A4ALDH1A1POLBS1PR4

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 HSP90AB1 1662/4885GRM2 3205/4885LMNA 4725/4885

“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.