SCHEMBL1765111

SCHEMBL1765111

O=C(OCc1ccccc1Br)c1csc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
MAPT P10636 2/20 0.34
FAAH O00519 3/20 0.34
FNTA P49354 3/20 0.33
PGGT1B P53609 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP8 Q14790 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL1765535 0.86 PPARG (0.40) PPARGFAAHALDH1A1KMT2AGAA
SCHEMBL1119946 0.85 GAA (0.45) PPARGMAPTFAAHNPC1RAB9A
SCHEMBL15446675 0.83 ALDH1A1 (0.43) PPARGALDH1A1KMT2AGAAHPGD
SCHEMBL1765041 0.83 PPARG (0.44) PPARGMAPTFAAHALDH1A1KMT2A
SCHEMBL1120075 0.83 CCR1 (0.41) PPARGMAPTNPC1RAB9AALDH1A1
SCHEMBL1119900 0.82 ALDH1A1 (0.36) PPARGMAPTFAAHALDH1A1KMT2A
SCHEMBL1120023 0.82 ALDH1A1 (0.34) PPARGMAPTFAAHRAB9AALDH1A1
SCHEMBL1120218 0.81 ALDH1A1 (0.35) PPARGMAPTFAAHRAB9AALDH1A1
SCHEMBL13228438 0.80 ALDH1A1 (0.35) PPARGALDH1A1KMT2AGAAHPGD
SCHEMBL1765540 0.79 FAAH (0.34) PPARGMAPTFAAHALDH1A1KMT2A

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-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 US claimed
WO-2011051243-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-05 WO claimed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 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-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX PPARG 402/4885MAPT 1497/4885FAAH 2218/4885

“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.