SCHEMBL3333478

SCHEMBL3333478

CCOC(=O)c1ccc([C@@H](CC)Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
DHODH Q02127 1/20 0.40
SLC6A9 P48067 9/20 0.38
KIF11 P52732 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL2653917 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL2659255 0.88 SLC6A9 (0.42) MEN1KMT2AKDM4ESLC6A9KIF11
SCHEMBL2653134 0.88 SLC6A9 (0.42) MEN1KMT2AKDM4ESLC6A9KIF11
SCHEMBL13647268 0.81 MEN1 (0.43) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL2660288 0.80 GCGR (0.46) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL2660291 0.80 GCGR (0.46) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL3327530 0.80 GCGR (0.51)
SCHEMBL2653243 0.80 GCGR (0.51)
SCHEMBL2659493 0.79 GCGR (0.43) HDAC3HDAC4HDAC1HDAC6MAPT
SCHEMBL2653031 0.79 GCGR (0.43) HDAC3HDAC4HDAC1HDAC6MAPT

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-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
EP-1856090-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 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-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR HDAC3 2027/4885HDAC4 4076/4885HDAC1 4270/4885

“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.