SCHEMBL4241326

SCHEMBL4241326

CCCCCN(S)[C@@H](CS)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.37
FFAR1 O14842 1/20 0.37
PPARD Q03181 3/20 0.36
MAPT P10636 2/20 0.36
LCK P06239 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
NOD1 Q9Y239 2/20 0.35
AKR1B1 P15121 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL4241320 1.00 GPR84 (0.37) GPR84FFAR1PPARDMAPTLCK
SCHEMBL6427261 0.94 CA12 (0.39) GPR84FFAR1PPARDMAPTLCK
SCHEMBL23829900 0.86 CA12 (0.35) MAPTGRIK1GRIK2SLC1A2SLC1A1
SCHEMBL11583564 0.86 CA12 (0.35) MAPTGRIK1GRIK2SLC1A2SLC1A1
SCHEMBL4771375 0.83 NOD1 (0.44) GPR84FFAR1PPARDMAPTLCK
SCHEMBL4771369 0.83 NOD1 (0.44) GPR84FFAR1PPARDMAPTLCK
SCHEMBL15047641 0.81 NOD1 (0.46) GPR84FFAR1PPARDMAPTLCK
SCHEMBL28655988 0.81 NOD1 (0.46) GPR84FFAR1PPARDMAPTLCK
SCHEMBL8859855 0.80 GPR84 (0.40) GPR84FFAR1PPARDMAPTLCK
SCHEMBL29001879 0.80 NOD1 (0.39) GPR84FFAR1PPARDMAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085695-A1 TREATMENT OR PREVENTION OF SKIN INJURY DUE TO EXPOSURE TO ULTRAVIOLET LIGHT HORWITZ LAWRENCE D (US) 2009-07-09 WO disclosed
US-20090169497-A1 Treatment and Prevention of Skin Injury Due to Exposure to Ultraviolet Light THE REGENTS OF THE UNIVERSITY OF COLORADO 2009-07-02 US disclosed
EP-1203583-B1 REMEDIES FOR ARTHROSIS DEFORMANS SANTEN PHARMACEUTICAL CO LTD (JP) 2005-12-07 EP disclosed
EP-1203583-B1 REMEDIES FOR ARTHROSIS DEFORMANS SANTEN PHARMACEUTICAL CO LTD (JP) 2005-12-07 EP disclosed
CN-1184965-C therapeutic agent for osteoarthritis SANTEN PHARMACEUTICAL CO LTD (JP) 2005-01-19 CN disclosed
EP-1203583-A4 REMEDIES FOR ARTHROSIS DEFORMANS SANTEN PHARMACEUTICAL CO LTD (JP) 2004-03-03 EP disclosed
US-6576668-B1 Mercaptoacylcysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-06-10 US disclosed
US-6576668-B1 Mercaptoacylcysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-06-10 US disclosed
CN-1356898-A Remedies for arthrosis deformans SANTEN PHARMACEUTICAL CO LTD (JP) 2002-07-03 CN disclosed
EP-1203583-A1 REMEDIES FOR ARTHROSIS DEFORMANS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-05-08 EP disclosed
EP-1203583-A1 REMEDIES FOR ARTHROSIS DEFORMANS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-05-08 EP disclosed
JP-2001064168-A THERAPEUTIC AGENT FOR ARTHROSIS DEFORMANS SANTEN PHARMACEUT CO LTD 2001-03-13 JP disclosed
WO-2000078305-A1 REMEDIES FOR ARTHROSIS DEFORMANS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2000-12-28 WO disclosed
US-4621151-A Optical resolution of DL-cysteine Nohira, Hiroyuki (JP) 1986-11-04 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 (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-20090169497-A1 Treatment and Prevention of Skin Injury Due to Exposure to Ultraviolet Light MGMT, S100A6, S100A9 GPR84 3230/4885FFAR1 2227/4885PPARD 1436/4885

“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.