SCHEMBL872472

SCHEMBL872472

O=C(O)c1ccc(SC2CCOC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.55
CRBN Q96SW2 3/20 0.55
MAPK1 P28482 4/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
GRIK1 P39086 1/20 0.39
MC4R P32245 1/20 0.38

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
SCHEMBL7981025 0.82 MAPK1 (0.56) DDB1CRBNMAPK1ALDH1A1CYP2C19
SCHEMBL873535 0.79 DDB1 (0.51) DDB1CRBNMAPK1ALDH1A1CYP2C19
SCHEMBL4491902 0.79 KMT2A (0.44) MAPK1ALDH1A1CYP2C19CYP1A2L3MBTL1
SCHEMBL875841 0.79 MAPK1 (0.58) MAPK1ALDH1A1CYP2C19CYP1A2L3MBTL1
SCHEMBL877603 0.79 POLB (0.53) DDB1CRBNMAPK1ALDH1A1CYP2C19
SCHEMBL4501819 0.79 KMT2A (0.44) MAPK1ALDH1A1CYP2C19CYP1A2L3MBTL1
SCHEMBL31708217 0.76 HSD17B10 (0.44) MAPK1ALDH1A1CYP2C19CYP1A2L3MBTL1
SCHEMBL5569137 0.75 KMT2A (0.42) MAPK1ALDH1A1CYP2C19CYP1A2L3MBTL1
SCHEMBL14517050 0.75 ALDH1A1 (0.56) DDB1CRBNMAPK1ALDH1A1CYP2C19
SCHEMBL19463659 0.75 DDB1 (0.51) DDB1CRBNALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850234-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-12-26 US disclosed
US-9850234-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-12-26 US disclosed
US-9850234-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-12-26 US disclosed
US-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS REDX PHARMA PLC (GB) 2017-08-31 US disclosed
US-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS REDX PHARMA PLC (GB) 2017-08-31 US disclosed
US-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS REDX PHARMA PLC (GB) 2017-08-31 US disclosed
US-9682963-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-06-20 US disclosed
US-9682963-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-06-20 US disclosed
US-9682963-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-06-20 US disclosed
EP-2951172-B1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS AMAKEM NV (BE) 2017-03-29 EP disclosed
EP-2951172-B1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS AMAKEM NV (BE) 2017-03-29 EP disclosed
US-20150361072-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS AMAKEM NV (BE) 2015-12-17 US disclosed
EP-2951172-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS Amakem NV (BE) 2015-12-09 EP disclosed
WO-2014118133-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS AMAKEM NV (BE) 2014-08-07 WO disclosed
WO-2014118133-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS AMAKEM NV (BE) 2014-08-07 WO disclosed
EP-2619177-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038943-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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-20150361072-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS ROCK1, ROCK2, ROR1 DDB1 4496/4885CRBN 3672/4885MAPK1 30/4885
US-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS ROCK1, ROCK2, RHOT2 DDB1 3675/4885CRBN 2515/4885MAPK1 164/4885

“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.