SCHEMBL10064217

SCHEMBL10064217

CC(C)(C)c1ccc2sc(=O)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL11560464 0.81 EPHX2 (0.46) ALDH1A1HPGDHSD17B10KIF11
SCHEMBL8526958 0.79 ALDH1A1 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL15833695 0.71 TDP1 (0.47) ALDH1A1NPC1RAB9ATDP1HDAC2
SCHEMBL12473850 0.71 KIF11 (0.47) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL2706410 0.71 ALDH1A1 (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12022758 0.71 PDE3B (0.54) ALDH1A1MAPTPKMKIF11
SCHEMBL13801872 0.69 CMA1 (0.56) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL24604645 0.69 KIF11 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL10064216 0.68 SIGMAR1 (0.43) MAPT
SCHEMBL16939102 0.68 GPR55 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 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 (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-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA PCK1, PDK2, PFKP ALDH1A1 1010/4885NPC1 2145/4885PLA2G1B 2131/4885
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 ALDH1A1 1240/4885NPC1 2936/4885PLA2G1B 770/4885

“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.