SCHEMBL2659425

SCHEMBL2659425

CN(c1cccc2cc(C(=O)NCC(C)(CN3CCN(C(=O)O)CC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
PLCG2 P16885 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 2/20 0.31
KMT2A Q03164 1/20 0.31
ACKR3 P25106 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL2977756 0.93 ACKR3 (0.36) SMN1; SMN2PLCG2ALDH1A1LMNAHPGD
SCHEMBL2660565 0.92 ALDH1A1 (0.36) SMN1; SMN2PLCG2ALDH1A1HPGDNPC1
SCHEMBL2661517 0.89 CYP2C9 (0.37) SMN1; SMN2PLCG2ALDH1A1LMNAHPGD
SCHEMBL2659228 0.86 PLCG2 (0.38) PLCG2ALDH1A1LMNATP53MAPT
SCHEMBL2659875 0.85 ALDH1A1 (0.39) SMN1; SMN2PLCG2ALDH1A1HPGDMAPT
SCHEMBL2659017 0.84 PLCG2 (0.34) SMN1; SMN2PLCG2ALDH1A1LMNAHPGD
SCHEMBL2660475 0.83 PLCG2 (0.38) SMN1; SMN2PLCG2LMNAHPGDNPC1
SCHEMBL2659094 0.82 PLCG2 (0.37) PLCG2ALDH1A1LMNATP53RAB9A
SCHEMBL2659436 0.82 PLCG2 (0.36) SMN1; SMN2PLCG2ALDH1A1LMNAHPGD
SCHEMBL2659974 0.81 PLCG2 (0.36) SMN1; SMN2PLCG2ALDH1A1LMNATP53

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 11 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
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 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 (4 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 SMN1; SMN2 4708/4885PLCG2 3437/4885ALDH1A1 376/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 SMN1; SMN2 4708/4885PLCG2 3437/4885ALDH1A1 376/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 SMN1; SMN2 4708/4885PLCG2 3437/4885ALDH1A1 376/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK SMN1; SMN2 4181/4885PLCG2 3796/4885ALDH1A1 296/4885

“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.