SCHEMBL10086344

SCHEMBL10086344

C=C(O)c1ccc(OC)cc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 14/20 0.54
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL531476 0.85 CPS1 (0.54) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL30820833 0.85 CPS1 (0.54) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL18506328 0.83 CPS1 (0.53) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL28561525 0.81 ALDH1A1 (0.49) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL1051747 0.81 CPS1 (0.63) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL28102429 0.80 CPS1 (0.57) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL15226106 0.79 CPS1 (0.61) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL13362708 0.78 HTT (0.44) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL29639738 0.77 ALDH1A1 (0.65) CPS1HPGDMEN1LMNAKMT2A
SCHEMBL13830537 0.77 ALDH1A1 (0.53) HPGDMEN1LMNAKMT2AALDH1A1

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-9212118-B2 Synthesis of intermediates for preparing anacetrapib and derivatives thereof LEK PHARMACEUTICALS D.D. (SI) 2015-12-15 US disclosed
US-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-05-15 US disclosed
WO-2012085133-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-06-28 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-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF CYP2B6, CYP4B1, CIAPIN1 CPS1 441/4885HPGD 76/4885MEN1 2799/4885

“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.