SCHEMBL840578

SCHEMBL840578

COC(=O)Cc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.44
STS P08842 5/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCD Q05655 1/20 0.43
NR3C1 P04150 1/20 0.42
ALOX15 P16050 1/20 0.41
CNR1 P21554 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL30958467 0.86 PRKCG (0.56) PTGDR2STSPRKCGPRKCBPRKCA
SCHEMBL840601 0.83 PTGDR2 (0.45) MAPK8PTGDR2ALDH1A1
SCHEMBL22773374 0.79 SCN9A (0.51) MAPK8STSPRKCGPRKCBPRKCA
SCHEMBL4990941 0.74 STS (0.47) STSNR3C1ALDH1A1GPR119MEN1
SCHEMBL30567981 0.73 CNR1 (0.47) STSPRKCGPRKCBPRKCAPRKCH
SCHEMBL21381988 0.73 CNR1 (0.47) STSPRKCGPRKCBPRKCAPRKCH
SCHEMBL20685560 0.73 STS (0.50) STSNR3C1CNR1ALDH1A1GPR119
SCHEMBL29161459 0.73 AVPR1A (0.46) MAPK8STSALOX15CNR1
SCHEMBL5253861 0.72 STS (0.47) STSNR3C1CNR1GPR119MEN1
SCHEMBL31386170 0.71 PRKCG (0.48) PRKCGPRKCBPRKCAPRKCHPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
EP-1932839-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-06-18 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-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 MAPK8 2953/4885PTGDR2 8/4885STS 4382/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 MAPK8 3057/4885PTGDR2 7/4885STS 4462/4885

“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.