SCHEMBL12608963

SCHEMBL12608963

CC(=O)C(C)c1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.85
PTGS2 P35354 1/20 0.85
RAB9A P51151 12/20 0.58
NPC1 O15118 12/20 0.58
KDM4E B2RXH2 11/20 0.58
GFER P55789 3/20 0.58
HDAC6 Q9UBN7 1/20 0.56
POLB P06746 2/20 0.56
PKM P14618 4/20 0.56
EPHX2 P34913 1/20 0.56
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
HPGD P15428 4/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
MIF P14174 1/20 0.52
MAPK1 P28482 2/20 0.52
CLK1 P49759 1/20 0.51
DYRK1A Q13627 1/20 0.51

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
Miroprofen SCHEMBL26767 0.92 PTGS2 (1.00) PTGS1PTGS2RAB9ANPC1KDM4E
Miroprofen SCHEMBL11832509 0.91 PTGS2 (0.97) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11819076 0.88 PTGS1 (0.79) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11822617 0.88 PTGS1 (0.79) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11822336 0.84 PTGS1 (0.72) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL2431742 0.83 PTGS1 (0.71) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL2739322 0.83 PTGS1 (0.71) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL15486399 0.81 PTGS1 (0.68) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL2427998 0.81 RAB9A (0.64) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL15486398 0.81 PTGS1 (0.67) PTGS1PTGS2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 US disclosed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 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 (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-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 PTGS1 44/4885PTGS2 217/4885RAB9A 2544/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 PTGS1 44/4885PTGS2 217/4885RAB9A 2544/4885

“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.