SCHEMBL1714853

SCHEMBL1714853

CC1Nc2ccc3cc(S(=O)(=O)O)ccc3c2C1(C)CCCCCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.35
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SNCA P37840 2/20 0.33
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RX3 P56373 1/20 0.32
TBXA2R P21731 1/20 0.31
PKM P14618 1/20 0.30
NSD2 O96028 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 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
SCHEMBL1714570 0.87 FOLH1 (0.36) ALDH1A1MEN1POLBKMT2ATDP1
SCHEMBL4296863 0.77 ALDH1A1 (0.42) CASP6ALDH1A1MEN1POLBKMT2A
SCHEMBL4296989 0.76 ALDH1A1 (0.42) CASP6ALDH1A1MEN1POLBKMT2A
SCHEMBL1714540 0.76 CASP6 (0.36) CASP6ALDH1A1MEN1POLBKMT2A
SCHEMBL14695177 0.73 FOLH1 (0.31)
SCHEMBL16509846 0.71 FOLH1 (0.39) CASP6ALDH1A1MEN1POLBKMT2A
SCHEMBL18288189 0.71 GAA (0.39) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL3433055 0.69 ALDH1A1 (0.39) CASP6ALDH1A1MEN1POLBKMT2A
SCHEMBL17119895 0.69 MEN1 (0.33) CASP6ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL881399 0.67 APEX1 (0.34) ALDH1A1POLBKDM4ETBXA2RPKM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
EP-1525265-B1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2011-07-20 EP disclosed
EP-2258776-A1 Fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2010-12-08 EP disclosed
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2010-10-21 US disclosed
US-7615646-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2009-11-10 US disclosed
US-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 US disclosed
EP-1525265-A4 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2005-06-22 EP disclosed
EP-1525265-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE-MELLON UNIVERSITY (US) 2005-04-27 EP disclosed
WO-2004039894-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2004-05-13 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 (2 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-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups IDO1, TDO2, IDO2 CASP6 3229/4885ALDH1A1 1689/4885MEN1 3227/4885
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS IDO1, IDO2, INMT CASP6 2182/4885ALDH1A1 1629/4885MEN1 1716/4885

“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.