SCHEMBL6914043

SCHEMBL6914043

O=C(O)CCNC(=O)c1ccc(C(=O)C(=CC(=O)c2ccc3c(c2)OC(F)(F)C(F)(F)O3)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
GCGR P47871 8/20 0.40
GIPR P48546 2/20 0.37
EPHX2 P34913 1/20 0.37
CYP2D6 P10635 1/20 0.36
PPARD Q03181 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
CXCR4 P61073 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL6914039 1.00 DHODH (0.40) DHODHGCGRGIPREPHX2CYP2D6
SCHEMBL2650123 0.87 RAB9A (0.44) GCGRNPC1RAB9AKMT2A
SCHEMBL2650125 0.87 RAB9A (0.44) GCGRNPC1RAB9AKMT2A
SCHEMBL2665117 0.87 RAB9A (0.44) GCGRNPC1RAB9AKMT2A
SCHEMBL2647340 0.86 GCGR (0.45) GCGRGIPREPHX2CYP2D6PPARD
SCHEMBL2647338 0.86 GCGR (0.45) GCGRGIPREPHX2CYP2D6PPARD
SCHEMBL2649603 0.86 GCGR (0.45) GCGRGIPREPHX2CYP2D6PPARD
SCHEMBL2664958 0.86 GCGR (0.45) GCGRGIPREPHX2CYP2D6PPARD
SCHEMBL2649608 0.86 GCGR (0.45) GCGRGIPREPHX2CYP2D6PPARD
SCHEMBL6913810 0.84 CTNNB1 (0.38) DHODHGCGRHDAC1HDAC8HDAC6

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-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR DHODH 4601/4885GCGR 4/4885GIPR 3/4885

“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.