SCHEMBL3499992

SCHEMBL3499992

CCC(C(=O)O)C1CN=C(c2cc3cccc(NS(=O)(=O)c4cccs4)c3[nH]2)S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.38
RELA Q04206 1/20 0.38
GLO1 Q04760 1/20 0.38
ALDH1A1 P00352 5/20 0.36
BRD4 O60885 4/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL3498199 0.86 CNKSR1 (0.35) ALDH1A1BRD4HPGDHTTMEN1
SCHEMBL3501853 0.85 MMP2 (0.40) GLO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3498324 0.85 MAPT (0.33) ALDH1A1HPGDHTTLMNAMAPT
SCHEMBL3500902 0.84 MAPT (0.34) MEN1KMT2AMAPT
SCHEMBL3498993 0.83 MAPT (0.31) MAPT
SCHEMBL2968195 0.83 NFKBIA (0.40) NFKBIARELAGLO1ALDH1A1BRD4
SCHEMBL2668725 0.82 NFKBIA (0.40) NFKBIARELAGLO1ALDH1A1BRD4
SCHEMBL3501468 0.82 MEN1 (0.31) MEN1KMT2AMAPT
SCHEMBL3500973 0.81 MEN1 (0.31) MEN1KMT2AMAPT
SCHEMBL2660091 0.80 NFKBIA (0.40) NFKBIARELAGLO1ALDH1A1BRD4

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 NFKBIA 1029/4885RELA 547/4885GLO1 91/4885

“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.