SCHEMBL3229316

SCHEMBL3229316

CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc(Nc3ccc(C4(C(=O)O)CCC4)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
SYK P43405 1/20 0.44
VCP P55072 3/20 0.42
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
IKBKB O14920 2/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL3230201 0.91 PTGS2 (0.45) PTGS2CA12CA9CA1CA2
SCHEMBL3227518 0.86 MAPT (0.48) PTGS2SYKVCPMAPTTP53
SCHEMBL3224000 0.86 SYK (0.44) SYKVCPMAPTTP53LMNA
SCHEMBL3233798 0.83 VCP (0.43) SYKVCPMAPTTP53LMNA
SCHEMBL3234022 0.83 SYK (0.42) PTGS2SYKVCPMAPTTP53
SCHEMBL3221043 0.82 SYK (0.41) SYKVCPALDH1A1MAPTTP53
SCHEMBL3227546 0.82 VCP (0.48) SYKVCPMAPTTP53LMNA
SCHEMBL13456895 0.82 ADORA1 (0.41) SYKVCPALDH1A1MAPT
SCHEMBL3261619 0.82 VCP (0.42) SYKVCPMAPT
Dimethylamine SCHEMBL3266676 0.82 SYK (0.40) PTGS2SYKVCPMAPTTP53

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
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US claimed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 PTGS2 2185/4885SYK 571/4885VCP 4664/4885

“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.