SCHEMBL667810

SCHEMBL667810

CC(C(N)=O)(c1ccco1)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
HSPA8 P11142 1/20 0.35
MYC P01106 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
HIF1A Q16665 1/20 0.34
PKM P14618 1/20 0.34
PPARG P37231 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MAPK10 P53779 1/20 0.33
MAP3K14 Q99558 1/20 0.33
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8612890 0.79 MAPT (0.40) MAPTALDH1A1LMNAHSPA8NPC1
SCHEMBL1458946 0.77 KMT2A (0.46) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL665543 0.76 HSPA5 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL20119862 0.73 MAPT (0.35) MAPTALDH1A1LMNAHSPA8NPC1
SCHEMBL30476238 0.70 MAPT (0.35) MAPTMYCNPC1RAB9AKMT2A
SCHEMBL28639887 0.70 ALDH1A1 (0.41) MAPTALDH1A1NPC1HSD17B10KMT2A
SCHEMBL20425072 0.69 KMT2A (0.48) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL4614944 0.69 MAPT (0.36) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL27964089 0.67 MAPT (0.44) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL1915285 0.66 MEN1 (0.39) ALDH1A1NPC1SMN1; SMN2HSD17B10KMT2A

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 6 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-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 MAPT 2844/4885ALDH1A1 1104/4885LMNA 594/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPT 568/4885ALDH1A1 968/4885LMNA 819/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPT 568/4885ALDH1A1 968/4885LMNA 819/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 MAPT 2107/4885ALDH1A1 1173/4885LMNA 904/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885ALDH1A1 1104/4885LMNA 594/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPT 568/4885ALDH1A1 968/4885LMNA 819/4885

“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.