SCHEMBL16633083

SCHEMBL16633083

CCOC(=O)C(=O)C=C(O)c1cc(F)cc(OCC(F)(F)F)c1.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.37
MAPT P10636 7/20 0.37
MEN1 O00255 4/20 0.37
LMNA P02545 4/20 0.37
KMT2A Q03164 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
HTT P42858 2/20 0.37
PAX8 Q06710 2/20 0.37
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 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
SCHEMBL15004208 0.99 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL14995811 0.86 MAPT (0.37) ALDH1A1MAPTMEN1LMNAKMT2A
Lithium Ion SCHEMBL16633082 0.85 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL15004256 0.85 MAPT (0.38) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL1765313 0.84 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL1765010 0.84 MAPT (0.42) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL1764991 0.83 GPR35 (0.41) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL14995837 0.83 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL12596968 0.83 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL12596939 0.83 MAPT (0.43) ALDH1A1MAPTMEN1LMNAKMT2A

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-9296720-B2 Carboxamide-substituted heteroaryl-pyrazoles and the use thereof AICURIS GMBH & CO. KG (DE) 2016-03-29 US disclosed
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 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-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF PAICS, AADAC, TPMT SMN1; SMN2 1557/4885NPC1 1204/4885RAB9A 2365/4885

“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.