SCHEMBL668132

SCHEMBL668132

Cc1ccccc1-c1csc(C(C(N)=O)c2nc(-c3ccccc3C)cs2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.55
ATP4B P51164 7/20 0.55
C1S P09871 1/20 0.44
MRE11 P49959 1/20 0.41
SIRT5 Q9NXA8 1/20 0.39
IKBKB O14920 1/20 0.39
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
EIF4E P06730 1/20 0.37
TGFBR1 P36897 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
PRKDC P78527 1/20 0.36
ATR Q13535 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL24696014 0.79 ATP4A (0.51) ATP4AATP4BC1SMRE11SIRT5
SCHEMBL6664901 0.78 ATP4A (0.58) ATP4AATP4BC1SSIRT5IKBKB
SCHEMBL30122888 0.73 HSD17B10 (0.62) ATP4AATP4BMAPTSMN1; SMN2NPC1
SCHEMBL3835119 0.73 HSD17B10 (0.62) ATP4AATP4BMAPTSMN1; SMN2NPC1
SCHEMBL8698425 0.71 ATP4A (0.57) ATP4AATP4BC1SMAPTNPC1
SCHEMBL10809913 0.71 MAPT (0.57) ATP4AATP4BMRE11SIRT5MAPT
SCHEMBL10955195 0.71 ATP4A (0.57) ATP4AATP4BMRE11SIRT5MAPT
SCHEMBL668133 0.70 ALDH1A1 (0.50) ATP4AATP4BC1SSIRT5NPC1
SCHEMBL21495107 0.69 ALDH1A1 (0.50) ATP4AATP4BMRE11MAPTSMN1; SMN2
SCHEMBL31341337 0.69 SREBF2 (0.51) ATP4AATP4BC1SSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (6 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ATP4A 2935/4885ATP4B 3663/4885C1S 1190/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ATP4A 433/4885ATP4B 1162/4885C1S 3937/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ATP4A 433/4885ATP4B 1162/4885C1S 3937/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 ATP4A 306/4885ATP4B 695/4885C1S 3059/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ATP4A 2935/4885ATP4B 3663/4885C1S 1190/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ATP4A 433/4885ATP4B 1162/4885C1S 3937/4885

“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.