SCHEMBL12608916

SCHEMBL12608916

CC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.50
USP14 P54578 1/20 0.49
USP7 Q93009 1/20 0.49
SHMT2 P34897 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
CCR1 P32246 1/20 0.41

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
Clopirac SCHEMBL24768 0.88 NOTUM (0.61) NOTUMALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL11377279 0.87 NOTUM (0.56) NOTUMALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL16752445 0.80 NOTUM (0.49) NOTUMALDH1A1MAPK1SMN1; SMN2POLB
Clopirac SCHEMBL28121041 0.79 NOTUM (0.51) NOTUMALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL11257155 0.77 POLB (0.51) NOTUMALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL12608917 0.76 SHMT2 (0.46) NOTUMALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL19298013 0.74 NOTUM (0.48) NOTUMALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL1980763 0.73 NOTUM (1.00) NOTUMALDH1A1MAPK1SMN1; SMN2NR1H4
SCHEMBL10493294 0.73 NOTUM (0.57) NOTUMALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL13740783 0.73 ALDH1A1 (0.72) NOTUMALDH1A1MAPK1SMN1; SMN2USP14

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 NOTUM 460/4885ALDH1A1 97/4885MAPK1 2354/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 NOTUM 460/4885ALDH1A1 97/4885MAPK1 2354/4885

“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.