SCHEMBL13203371

SCHEMBL13203371

CCN(c1cccc2cc(-c3ncc(CN4CCCC(O)C4)s3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.32
POLB P06746 3/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIM1 P11309 1/20 0.31
ADRB2 P07550 1/20 0.31
HTT P42858 1/20 0.31
CNR1 P21554 1/20 0.31
PKM P14618 1/20 0.31
ROCK2 O75116 1/20 0.30
CCR2 P41597 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
SCHEMBL13203401 0.96 MCHR1 (0.32) MEN1KMT2ACNR2ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2973940 0.95 CNR2 (0.35) MEN1KMT2ACNR2ALDH1A1KDM4E
SCHEMBL13203488 0.92 CNR2 (0.33) MEN1KMT2ACNR2ALDH1A1KDM4E
SCHEMBL13203301 0.92 MEN1 (0.38) MEN1KMT2ACNR2ALDH1A1KDM4E
SCHEMBL13203671 0.92 ALDH1A1 (0.33) MEN1KMT2ACNR2ALDH1A1KDM4E
SCHEMBL13203369 0.92 OGA (0.32) CNR2ALDH1A1MAPTCNR1
SCHEMBL13203618 0.91 MEN1 (0.35) MEN1KMT2ACNR2ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2662578 0.91 CNR2 (0.30) MEN1KMT2ACNR2
SCHEMBL2668615 0.91 ALDH1A1 (0.33) CNR2ALDH1A1KDM4ETSHRHPGD
SCHEMBL9072964 0.90 MAPT (0.45) MEN1KMT2AALDH1A1KDM4EHPGD

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 13 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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 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-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 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-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-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

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 MEN1 2138/4885KMT2A 507/4885CNR2 1447/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 MEN1 2138/4885KMT2A 507/4885CNR2 1447/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MEN1 2138/4885KMT2A 507/4885CNR2 1447/4885
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 MEN1 3693/4885KMT2A 520/4885CNR2 2171/4885

“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.