SCHEMBL3500907

SCHEMBL3500907

CCC(C(=O)O)C1CN=C(c2cc3cccc(N(C)S(=O)(=O)c4ccccc4OC)c3[nH]2)S1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 2/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
RAB9A P51151 1/20 0.30
ITK Q08881 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
SCHEMBL3502227 0.87 HSD11B1 (0.32) RAB9A
SCHEMBL3501607 0.84 LMNA (0.31) LMNAMAPT
SCHEMBL2668856 0.84 DAGLA (0.36) DAGLALMNAMAPTALDH1A1HSD17B10
SCHEMBL13221872 0.84 MAPT (0.35) DAGLALMNAMAPTALDH1A1HSD17B10
SCHEMBL3498324 0.83 MAPT (0.33) LMNAMAPTALDH1A1MAPK1HPGD
SCHEMBL3498044 0.83 PPARG (0.30)
SCHEMBL3498937 0.82
SCHEMBL3500841 0.82 PTGER2 (0.33) MAPTHSD17B10
SCHEMBL2974808 0.82 POLB (0.36) DAGLALMNAMAPTALDH1A1HSD17B10
SCHEMBL2668850 0.82 LMNA (0.34) DAGLALMNAMAPTALDH1A1HSD17B10

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 DAGLA 1333/4885LMNA 4727/4885MAPT 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.