SCHEMBL3095195

SCHEMBL3095195

COc1cncc(-c2cc(C(O)CC(C)C)c(C)o2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.38
CYP11B2 P19099 10/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
FYN P06241 3/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA3 P07451 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL3101526 0.85 CYP11B1 (0.38) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL3106494 0.82 DYRK1A (0.32) CA12CA1CA2CA9CA4
SCHEMBL3106856 0.82 HPGD (0.47) CYP3A4CYP2C9CA12CA1CA2
SCHEMBL3098635 0.81 SMN1; SMN2 (0.42) CYP3A4CYP1A2CYP2C9CA12CA1
SCHEMBL3101188 0.78 IDO1 (0.38) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL3099760 0.77 HDAC6 (0.41) CA12CA1CA2CA9CA4
SCHEMBL3109992 0.76 MKNK1 (0.38) MKNK1MKNK2CYP1A1CYP1B1KDM4E
SCHEMBL3098641 0.75 CA12 (0.40) CA12CA1CA2CA9CA4
SCHEMBL3095057 0.73 ALDH1A1 (0.39) CYP3A4CYP1A2CYP2C9CA12CA1
SCHEMBL3101663 0.72 AAK1 (0.35) CYP11B1CYP11B2FYNCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR CYP11B1 151/4885CYP11B2 167/4885CYP3A4 1502/4885

“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.