SCHEMBL721622

SCHEMBL721622

CCC(CC)C(Nc1ccc(C(=O)O)cc1)c1oc2ccc(F)cc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HCRTR1 O43613 1/20 0.40
PPARG P37231 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
RAB9A P51151 5/20 0.39
TBXAS1 P24557 1/20 0.39
NPC1 O15118 4/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NFKB1 P19838 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL719006 0.89 LMNA (0.41) HCRTR1PPARGNCOR2RAB9ANPC1
SCHEMBL720719 0.86 GCG (0.45) RAB9ANPC1PTGDR2MEN1KMT2A
SCHEMBL719995 0.85 NAMPT (0.36) HCRTR1PPARGNCOR2RAB9ANPC1
SCHEMBL717934 0.85 NPC1 (0.44) CA1CA2RAB9ANPC1POLB
SCHEMBL718232 0.81 KMT2A (0.35) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL14905653 0.79 NPC1 (0.49) CA12CA1CA2CA9HCRTR1
SCHEMBL721439 0.79 NPC1 (0.51) CA12CA1CA2CA9HCRTR1
SCHEMBL719819 0.78 GCG (0.47) RAB9ANPC1
SCHEMBL2669991 0.78 NAMPT (0.40) HCRTR1PPARGNCOR2RAB9ANPC1
SCHEMBL720069 0.77 KMT2A (0.46) RAB9ANPC1MEN1KMT2AMAPT

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
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
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 CA12 1685/4885CA1 2571/4885CA2 1595/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CA12 1685/4885CA1 2571/4885CA2 1595/4885

“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.