SCHEMBL12876157

SCHEMBL12876157

Cc1cccc(-c2nc(Cn3cc(C(=O)O)cn3)c(CF)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.43
LMNA P02545 2/20 0.39
FFAR1 O14842 2/20 0.39
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GFER P55789 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
DHODH Q02127 1/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL12875853 0.91 KLKB1 (0.43) KLKB1LMNAFFAR1PPARDKDM4E
SCHEMBL12876154 0.89 MAPT (0.41) KLKB1LMNAFFAR1PPARDKDM4E
SCHEMBL12875936 0.88 RARA (0.43) KLKB1LMNAKDM4EALDH1A1MAPT
SCHEMBL1198826 0.87 KMT2A (0.48) KLKB1PPARDKDM4EALDH1A1MAPT
SCHEMBL12875878 0.86 KLKB1 (0.40) KLKB1LMNAKDM4EALDH1A1MAPT
SCHEMBL12875928 0.86 KLKB1 (0.56) KLKB1LMNAFFAR1PPARDKDM4E
SCHEMBL12876169 0.85 KLKB1 (0.39) KLKB1LMNAFFAR1PPARDKDM4E
SCHEMBL12875881 0.83 KLKB1 (0.39) KLKB1LMNAKDM4EALDH1A1MAPT
SCHEMBL12875963 0.83 PPARG (0.39) KLKB1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL12875851 0.81 RARA (0.41) KLKB1LMNAALDH1A1MAPTL3MBTL1

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KLKB1 3765/4885LMNA 2086/4885FFAR1 1382/4885

“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.