SCHEMBL8202277

SCHEMBL8202277

CC1C(=O)Nc2ccc(Cc3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.49
PARP1 P09874 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSK3B P49841 2/20 0.38
TGM2 P21980 1/20 0.38
IDH1 O75874 1/20 0.38
PARP11 Q9NR21 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
BRPF1 P55201 1/20 0.37
LMNA P02545 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL29055666 0.82 MAPT (0.41) MAPTKDM4EGSK3BTGM2IDH1
SCHEMBL12727796 0.81 PGR (0.50) PGRPARP1MAPTKDM4EGAA
SCHEMBL29087578 0.73 PARP1 (0.39) PARP1MAPTKDM4EGSK3BTGM2
SCHEMBL29087582 0.73 IDH1 (0.41) PARP1GSK3BTGM2IDH1PARP11
SCHEMBL10696421 0.73 MAOA (0.50) PGRMAPTL3MBTL1TGM2MAOB
SCHEMBL29087587 0.73 KDM4E (0.41) PARP1MAPTKDM4EGSK3BTGM2
SCHEMBL30088920 0.73 BRPF1 (0.53) PGRPARP1MAPTKDM4EGAA
SCHEMBL260994 0.73 BRPF1 (0.53) PGRPARP1MAPTKDM4EGAA
SCHEMBL19054962 0.73 BRPF1 (0.53) PGRPARP1MAPTKDM4EGAA
SCHEMBL7003692 0.72 PARP1 (0.74) PARP1GSK3BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845281-A Method of preparing ketoprofen BLASCHIM, S.P.A. (IT) 1989-07-04 US claimed
EP-0309009-A1 Process for preparing ketoprofen Nobel Chemicals AB (SE) 1989-03-29 EP claimed
US-9321775-B2 Compositions and methods for the treatment of moderate to severe pain CELLIX BIO PRIVATE LIMITED (IN) 2016-04-26 US disclosed
US-9321775-B2 Compositions and methods for the treatment of moderate to severe pain CELLIX BIO PRIVATE LIMITED (IN) 2016-04-26 US disclosed
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION KANDULA MAHESH (IN) 2015-05-28 US disclosed
US-20150141479-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MODERATE TO SEVERE PAIN CELLIX BIO PRIVATE LIMITED (IN) 2015-05-21 US disclosed
US-20150141479-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MODERATE TO SEVERE PAIN CELLIX BIO PRIVATE LIMITED (IN) 2015-05-21 US disclosed
CN-1253543-A Process for producing ketoprofen and 5-benzoyl-3-methyl-2-indolinone MEDICAL INFORMATION SERVICES I (JP) 2000-05-17 CN disclosed
EP-0990637-A1 PROCESS FOR PRODUCING KETOPROFEN AND 5-BENZOYL-3-METHYL-2-INDOLINONE Medical Information Services, Inc. (JP) 2000-04-05 EP disclosed
US-4845281-A Method of preparing ketoprofen BLASCHIM, S.P.A. (IT) 1989-07-04 US disclosed
US-4845281-A Method of preparing ketoprofen BLASCHIM, S.P.A. (IT) 1989-07-04 US disclosed
EP-0309009-A1 Process for preparing ketoprofen Nobel Chemicals AB (SE) 1989-03-29 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 (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-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IAPP, TTR, GPR119 PGR 1945/4885PARP1 2113/4885MAPT 265/4885
US-20150141479-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MODERATE TO SEVERE PAIN TARDBP, GLS2, CACNA1S PGR 2408/4885PARP1 3153/4885MAPT 54/4885

“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.