SCHEMBL720332

SCHEMBL720332

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)sc2cc(C(F)(F)F)cnc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCG P01275 10/20 0.41
GLP1R P43220 1/20 0.39
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
AKR1C3 P42330 1/20 0.36
PTGS2 P35354 6/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGES O14684 2/20 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
SCHEMBL720373 0.92 GCG (0.36) GCGGLP1RGCGRGIPRHPGD
SCHEMBL718728 0.87 RCE1 (0.44) GCGGLP1RGCGRGIPRHPGD
SCHEMBL3403776 0.84 RCE1 (0.45) GCGPTGS2HPGD
SCHEMBL720172 0.84 ALDH1A1 (0.44) GCGHPGDALDH1A1
SCHEMBL1439853 0.83 GCG (0.39) GCGGLP1RGCGRGIPRAKR1C3
SCHEMBL1439300 0.81 GCG (0.39) GCGAKR1C3HPGD
SCHEMBL3399873 0.80 NAMPT (0.35) GCGAKR1C3HPGD
SCHEMBL716694 0.80 NAMPT (0.35) GCGAKR1C3HPGD
SCHEMBL3101838 0.80 GLP1R (0.39) GCGGLP1RGCGRGIPRAKR1C3
SCHEMBL719013 0.80 GCGR (0.37) GCGGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885GLP1R 5/4885GCGR 90/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885GLP1R 5/4885GCGR 90/4885

“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.