SCHEMBL2660077

SCHEMBL2660077

CN(c1cccc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HCRTR1 O43613 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PLCG2 P16885 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
SETD2 Q9BYW2 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2978211 0.93 HCRTR1 (0.37) ALDH1A1KDM4EHSD17B10HCRTR1SMN1; SMN2
SCHEMBL2659017 0.92 PLCG2 (0.34) ALDH1A1SMN1; SMN2PLCG2LMNARAB9A
SCHEMBL2976696 0.91 PLCG2 (0.33) ALDH1A1KDM4EHSD17B10HCRTR1SMN1; SMN2
SCHEMBL2660525 0.90 HCRTR1 (0.37) ALDH1A1KDM4EHSD17B10HCRTR1SMN1; SMN2
SCHEMBL2659804 0.89 CTSS (0.33) ALDH1A1KDM4EHSD17B10HCRTR1TSHR
SCHEMBL2978405 0.88 ACKR3 (0.36) ALDH1A1PLCG2
SCHEMBL2661597 0.87 HDAC8 (0.32) PLCG2RAB9A
SCHEMBL2668833 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10SMN1; SMN2PLCG2
SCHEMBL2668868 0.87 HCRTR1 (0.34) ALDH1A1KDM4EHSD17B10HCRTR1TSHR
SCHEMBL2662040 0.86 MAPT (0.36) ALDH1A1KDM4EHSD17B10SMN1; SMN2PLCG2

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 42 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-7767811-B2 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids BRANDEIS UNIVERSITY (US) 2010-08-03 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-6743914-B2 USING TERTIARY AMINE CATALYST BRANDEIS UNIVERSITY 2004-06-01 US disclosed
EP-1419125-A1 KINETIC RESOLUTIONS OF CHIRAT 3- AND 3-SUBSTITUTED CARBOXYLIC ACIDS Brandeis University (US) 2004-05-19 EP disclosed
EP-1305270-B1 KINETIC RESOLUTIONS OF CHIRAL 2- AND 3-SUBSTITUTED CARBOXYLIC ACIDS UNIV BRANDEIS (US) 2004-04-14 EP disclosed
US-20030166963-A1 Kinetic resolutions of chiral 2-and 3-substituted carboxylic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-04 US disclosed
US-6562967-B2 Drug screening; purity BRANDEIS UNIVERSITY 2003-05-13 US disclosed
EP-1305270-A1 KINETIC RESOLUTIONS OF CHIRAL 2- AND 3-SUBSTITUTED CARBOXYLIC ACIDS Brandeis University (US) 2003-05-02 EP disclosed
WO-2003011799-A1 KINETIC RESOLUTIONS OF CHIRAT 3- AND 3-SUBSTITUTED CARBOXYLIC ACIDS BRANDEIS UNIVERSITY (US) 2003-02-13 WO disclosed
US-20020165393-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-07 US disclosed
US-20020151744-A1 Kinetic resolutions of chiral 2-and-3-substituted carboxylic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-17 US disclosed
WO-2002010096-A1 KINETIC RESOLUTIONS OF CHIRAL 2- AND 3-SUBSTITUTED CARBOXYLIC ACIDS BRANDEIS UNIVERSITY (US) 2002-02-07 WO 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 ALDH1A1 376/4885KDM4E 1017/4885HSD17B10 579/4885
US-20020165393-A1 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids ADH5, ADH1C, TST ALDH1A1 231/4885KDM4E 1172/4885HSD17B10 394/4885
US-20030166963-A1 Kinetic resolutions of chiral 2-and 3-substituted carboxylic acids ADH5, ADH1C, TST ALDH1A1 225/4885KDM4E 1159/4885HSD17B10 446/4885
US-20020151744-A1 Kinetic resolutions of chiral 2-and-3-substituted carboxylic acids ADH5, ADH1C, TST ALDH1A1 218/4885KDM4E 1263/4885HSD17B10 471/4885

“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.