SCHEMBL29463559

SCHEMBL29463559

COc1cccc(-c2noc([C@H](C)NC(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.53
PPARA Q07869 5/20 0.53
S1PR3 Q99500 1/20 0.52
ACACB O00763 5/20 0.50
IDH1 O75874 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46

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
SCHEMBL22649322 1.00 PPARD (0.53) PPARDPPARAS1PR3ACACBIDH1
SCHEMBL22637757 0.90 PPARD (0.51) PPARDPPARAS1PR3ACACBTDP1
SCHEMBL29463431 0.90 IDH1 (0.50) PPARDPPARAACACBIDH1TDP1
SCHEMBL16088892 0.90 IDH1 (0.50) PPARDPPARAACACBIDH1TDP1
SCHEMBL16091905 0.89 IDH1 (0.52) PPARDPPARAACACBIDH1TDP1
SCHEMBL22637401 0.88 NPC1 (0.50) PPARDPPARAS1PR3ACACBNPC1
SCHEMBL29463451 0.88 NPC1 (0.50) PPARDPPARAS1PR3ACACBNPC1
SCHEMBL22649167 0.87 KCNT1 (0.57) PPARDPPARAACACBIDH1RAB9A
SCHEMBL22649521 0.87 KCNT1 (0.57) PPARDPPARAACACBIDH1RAB9A
SCHEMBL22649477 0.87 PPARD (0.49) PPARDPPARAACACBSMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP 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-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 PPARD 4482/4885PPARA 4478/4885S1PR3 3094/4885

“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.