SCHEMBL6913810

SCHEMBL6913810

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 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
DHODH Q02127 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GCG P01275 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PPARG P37231 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL6913803 1.00 CTNNB1 (0.38) CTNNB1WNT3ADHODHNPC1RAB9A
SCHEMBL2647243 0.86 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2647238 0.86 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL6914039 0.84 DHODH (0.40) DHODHNPC1RAB9AHDAC1HDAC8
SCHEMBL6914043 0.84 DHODH (0.40) DHODHNPC1RAB9AHDAC1HDAC8
SCHEMBL2647947 0.81 GCGR (0.48) NPC1RAB9ASMN1; SMN2GCGHDAC3
SCHEMBL2647948 0.81 GCGR (0.48) NPC1RAB9ASMN1; SMN2GCGHDAC3
SCHEMBL2647432 0.79 GCG (0.54) NPC1RAB9ASMN1; SMN2GCGHDAC3
SCHEMBL2647438 0.79 GCG (0.54) NPC1RAB9ASMN1; SMN2GCGHDAC3
SCHEMBL2665067 0.77 GCGR (0.55) NPC1RAB9ASMN1; SMN2GCGRADCY6

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 CTNNB1 4549/4885WNT3A 3095/4885DHODH 4601/4885

“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.