SCHEMBL1980666

SCHEMBL1980666

COc1cnc2sc(CCC(=O)O)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.50
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FFAR1 O14842 3/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STING1 Q86WV6 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7167832 0.74 ALDH1A1 (0.37) MAPTALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL4933138 0.73 HDAC6 (0.53) HDAC6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL1980665 0.72 PPARA (0.41) ALDH1A1POLBSMN1; SMN2GAAALOX15
SCHEMBL4929694 0.71 HDAC6 (0.53) HDAC6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL14820094 0.70 ALDH1A1 (0.38) MAPTALDH1A1POLBSMN1; SMN2GAA
SCHEMBL2910400 0.68 HDAC6 (0.50) HDAC6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL6781352 0.68 MGAM (0.38) HDAC6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1514591 0.67 HDAC6 (1.00) HDAC6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL591634 0.66 MTNR1A (0.68) HDAC6POLBFFAR1L3MBTL1LMNA
SCHEMBL31496381 0.66 STING1 (0.53) ALDH1A1HTTSTING1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318402-B1 Pyrrolidinyl-alkyl-amide derivatives their preparation and their therapeutic application as CCR3 receptor ligands SANOFI SA (FR) 2014-04-30 EP disclosed
US-8420636-B2 Pyrrolidinyl-alkyl-amide derivatives, their preparation, and their therapeutic application as CCR3 receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2011-06-16 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-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS CCR3, CCR1, CCR4 HDAC6 351/4885MAPT 3947/4885ALDH1A1 2212/4885

“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.