SCHEMBL2830732

SCHEMBL2830732

NC(=O)c1ccc(COC2CCCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.53
SELE P16581 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP10 Q53GL7 9/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
CREBBP Q92793 2/20 0.44
PARP15 Q460N3 4/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
PARP1 P09874 1/20 0.43
EP300 Q09472 1/20 0.41
MAOB P27338 3/20 0.41
PARP2 Q9UGN5 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3811958 0.87 KMT2A (0.64) ICAM1SELEMEN1KMT2ANPC1
SCHEMBL22468583 0.86 ICAM1 (0.53) ICAM1SELEMEN1KMT2ANPC1
SCHEMBL4325200 0.85 KMT2A (0.52) ICAM1SELEMEN1KMT2ANPC1
SCHEMBL3809200 0.84 KMT2A (0.48) ICAM1SELEMEN1KMT2ANPC1
SCHEMBL5859354 0.84 ICAM1 (0.44) ICAM1SELEMEN1KMT2ANPC1
SCHEMBL5859355 0.84 ICAM1 (0.44) ICAM1SELEMEN1KMT2ANPC1
SCHEMBL32681294 0.84 HDAC1 (0.49) ICAM1SELEMEN1KMT2AALDH1A1
SCHEMBL14144356 0.83 KMT2A (0.50) ICAM1SELEMEN1KMT2ANPC1
SCHEMBL4317051 0.82 ICAM1 (0.45) ICAM1SELEMEN1KMT2ANPC1
SCHEMBL10562367 0.82 KMT2A (0.49) ICAM1SELEMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948598-B1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LAB LTD (IN) 2013-01-09 EP disclosed
US-7671216-B2 Process for preparation of (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-[(4-hydroxy methyl phenyl amino) carbonyl]-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid hemi calcium salt RANBAXY LABORATORIES LIMITED (IN) 2010-03-02 US disclosed
US-20090118520-A1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LABORATORIES LIMITED (IN) 2009-05-07 US disclosed
EP-1948598-A1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2007054790-A1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LABORATORIES LIMITED (IN) 2007-05-18 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 (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-20090118520-A1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT HPD, HCAR3, ORAI1 ICAM1 3820/4885SELE 4694/4885MEN1 3482/4885

“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.