Sugi Predict

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SCHEMBL2977355

SCHEMBL2977355

CN(c1cccc2cc(C(=O)NCC3(SCc4ccccc4)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.36
▸ NR1H2 P55055 2/20 0.34
▸ MMP13 P45452 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ PLCG2 P16885 1/20 0.33
▸ STS P08842 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ ACKR3 P25106 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 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
SCHEMBL2660250 0.86 PLCG2 (0.37) PLCG2ACKR3LMNAALDH1A1POLB
SCHEMBL2977756 0.85 ACKR3 (0.36) NAMPTNR1H2PRMT5PLCG2STS
SCHEMBL2659956 0.84 PLCG2 (0.35) PLCG2ACKR3CYP2C9LMNAALDH1A1
SCHEMBL2978405 0.84 ACKR3 (0.36) NAMPTNR1H2MMP13PRMT5PLCG2
SCHEMBL2659616 0.78 CCR5 (0.40) NAMPTPLCG2ACHELMNAALDH1A1
SCHEMBL13348611 0.77 PLCG2 (0.47) PLCG2ACKR3CYP2C9LMNAALDH1A1
SCHEMBL2660565 0.76 ALDH1A1 (0.36) PLCG2HPGDALDH1A1
SCHEMBL2659974 0.76 PLCG2 (0.36) MMP13PLCG2ACKR3LMNAALDH1A1
SCHEMBL3499133 0.75 PLCG2 (0.36) NR1H2MMP13PLCG2LMNAALDH1A1
SCHEMBL2659875 0.74 ALDH1A1 (0.39) PLCG2HPGDALDH1A1

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 25 patents — showing the first 20. 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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 — — US disclosed
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-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US 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-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 — — US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 — — 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-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 — — 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
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 — — US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 — — US 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
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
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 (3 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 NAMPT 580/4885NR1H2 2566/4885MMP13 650/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 NAMPT 580/4885NR1H2 2566/4885MMP13 650/4885
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 NAMPT 515/4885NR1H2 3220/4885MMP13 1062/4885

“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.