SCHEMBL3499050

SCHEMBL3499050

CCC(C(=O)O)C1CN=C(c2cc3c(C)ccc(N(C)S(=O)(=O)c4cccs4)c3[nH]2)S1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3498324 0.90 MAPT (0.33) ALDH1A1LMNAMAPTHTTNPSR1
SCHEMBL3499830 0.88 L3MBTL1 (0.32) ALDH1A1LMNAMAPTHTTNPSR1
SCHEMBL2974076 0.85 ALDH1A1 (0.35) ALDH1A1MEN1TSHRKMT2ALMNA
SCHEMBL13222243 0.84 ALDH1A1 (0.34) ALDH1A1MEN1TSHRKMT2ALMNA
SCHEMBL3501783 0.82 SMN1; SMN2 (0.32) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL3500902 0.82 MAPT (0.34) MEN1TSHRKMT2AMAPTNPSR1
SCHEMBL2969708 0.82 ALDH1A1 (0.35) ALDH1A1MEN1TSHRKMT2ALMNA
SCHEMBL2668633 0.82 ALDH1A1 (0.34) ALDH1A1MEN1TSHRKMT2ALMNA
SCHEMBL13204127 0.82 ALDH1A1 (0.36) ALDH1A1MEN1TSHRKMT2ALMNA
SCHEMBL2969111 0.82 ALDH1A1 (0.33) ALDH1A1MEN1TSHRKMT2ALMNA

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 ALDH1A1 376/4885MEN1 2138/4885TSHR 857/4885

“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.