SCHEMBL2292607

SCHEMBL2292607

CSc1cc(C(C)C(=O)O)nn1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.38
AKR1C2 P52895 6/20 0.38
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
PTGS2 P35354 2/20 0.30

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
SCHEMBL23713966 0.81
SCHEMBL2216049 0.77 HCAR3 (0.34) AKR1C3AKR1C2POLBLMNAAPAF1
SCHEMBL31057116 0.67 HDAC6 (0.44) POLBALDH1A1KDM4EPTGS2
SCHEMBL908905 0.66 KDM4C (0.40) AKR1C3AKR1C2LMNAALDH1A1KDM4E
SCHEMBL10429623 0.66 LMNA (0.45) POLBLMNAAPAF1ALDH1A1GAA
SCHEMBL23713965 0.65 NR1I2 (0.30)
SCHEMBL23714080 0.64 L3MBTL1 (0.33) POLBGAA
SCHEMBL316007 0.63 ALDH1A1 (0.57) ALDH1A1GAAKDM4EGRNSORT1
SCHEMBL4662149 0.62 PTGS2 (0.39) AKR1C3AKR1C2POLBLMNAALDH1A1
Hydrochloric Acid SCHEMBL31467467 0.62 ALDH1A1 (0.56) ALDH1A1GAAKDM4EGRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 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-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 AKR1C3 815/4885AKR1C2 421/4885POLB 4154/4885

“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.