SCHEMBL3500841

SCHEMBL3500841

CCC(C(=O)O)C1CN=C(c2cc3cccc(N(C)S(=O)(=O)c4cccnc4)c3[nH]2)S1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 10/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL3501607 0.85 LMNA (0.31) MAPT
SCHEMBL3498937 0.84
SCHEMBL3498324 0.84 MAPT (0.33) MAPT
SCHEMBL2971375 0.84 PTGER2 (0.36) PTGER2KEAP1NFE2L2
SCHEMBL3498044 0.83 PPARG (0.30)
SCHEMBL3500907 0.82 DAGLA (0.33) HSD17B10MAPT
SCHEMBL2969648 0.82 JAK2 (0.33) PTGER2
SCHEMBL3502227 0.81 HSD11B1 (0.32)
SCHEMBL13204308 0.81 GAA (0.32) PTGER2MAPTKEAP1NFE2L2
SCHEMBL13221878 0.80 ABCB1 (0.32) PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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 (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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 PTGER2 2997/4885HSD17B10 579/4885MAPT 4224/4885

“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.