SCHEMBL6895590

SCHEMBL6895590

CC(=O)SCCN(CCc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MME P08473 2/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CCR6 P51684 1/20 0.37
ALOX5 P09917 1/20 0.37
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 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
SCHEMBL6898169 0.88 RAB9A (0.43) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL6893352 0.86 SIGMAR1 (0.39) LPAR1NPC1RAB9ATDP1KMT2A
SCHEMBL27559969 0.83 NPC1 (0.41) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL6898151 0.82 L3MBTL1 (0.49) RAB9AKMT2AALDH1A1SIGMAR1POLB
SCHEMBL7719562 0.82 SMN1; SMN2 (0.49) RAB9AMMELMNAMAPTMAPK1
SCHEMBL7723864 0.82 RAB9A (0.51) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL28747229 0.82 KDM4A (0.36) LPAR1NPC1RAB9ATDP1KMT2A
Hydrochloric Acid SCHEMBL7729370 0.81 SMN1; SMN2 (0.48) RAB9AMMELMNAMAPTMAPK1
SCHEMBL7724742 0.81 EPHX2 (0.46) NPC1RAB9AKMT2ASMN1; SMN2CYP2D6
SCHEMBL7729377 0.80 L3MBTL1 (0.53) NPC1RAB9ATDP1KMT2AMEN1

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-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH LPAR1 4229/4885NPC1 3264/4885RAB9A 3117/4885

“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.