SCHEMBL8306306

SCHEMBL8306306

Cc1ccc(-c2noc(CCl)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTPN1 P18031 4/20 0.40
MAPT P10636 3/20 0.38
MMP2 P08253 5/20 0.36
MMP9 P14780 5/20 0.36
MMP8 P22894 5/20 0.36
MMP12 P39900 5/20 0.36
MMP13 P45452 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 2/20 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
SCHEMBL3018541 0.77 MAPT (0.35) KDM4EPTPN1MAPTSMN1; SMN2NPC1
SCHEMBL12676824 0.77 KDM4E (0.65) KDM4EMAOAMAOBMAPTMMP2
SCHEMBL4006194 0.76 MCL1 (0.36) KDM4EPTPN1MAPTSMN1; SMN2NPC1
SCHEMBL1486703 0.73 RAB9A (0.61) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL10904042 0.72 SMN1; SMN2 (0.59) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4006531 0.72 NOTUM (0.34) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL20489194 0.70 KDM4E (0.45) KDM4EMAOAMAOB
SCHEMBL1544710 0.70 SMN1; SMN2 (0.55) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL7577573 0.69 NOTUM (0.55) KDM4EPTPN1MAPTNPC1RAB9A
SCHEMBL7500740 0.69 SIRT2 (0.40) KDM4EPTPN1MAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 WO 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-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD KDM4E 1518/4885MAOA 125/4885MAOB 175/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD KDM4E 1518/4885MAOA 125/4885MAOB 175/4885

“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.