SCHEMBL1714566

SCHEMBL1714566

CC1=Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2C1(C)CCCCCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.36
ALDH1A1 P00352 2/20 0.33
TBXA2R P21731 1/20 0.33
FABP4 P15090 4/20 0.32
PKM P14618 1/20 0.31
P2RX3 P56373 1/20 0.30
MAPK1 P28482 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
SCHEMBL14781529 0.89 FOLH1 (0.35) FOLH1ALDH1A1
SCHEMBL1714540 0.87 CASP6 (0.36) ALDH1A1TBXA2RPKMP2RX3MAPK1
SCHEMBL17119895 0.86 MEN1 (0.33) ALDH1A1TBXA2RFABP4PKMP2RX3
SCHEMBL133416 0.85 FOLH1 (0.32) FOLH1
SCHEMBL9929222 0.85 FOLH1 (0.32) FOLH1
SCHEMBL14093814 0.84
SCHEMBL17483223 0.80 DYRK1A (0.33) ALDH1A1
SCHEMBL881201 0.80 ALDH1A1 (0.35) ALDH1A1TBXA2RFABP4PKMP2RX3
Potassium Ion SCHEMBL4886117 0.80 FOLH1 (0.35) FOLH1
SCHEMBL13264906 0.79 CYP26B1 (0.35) ALDH1A1TBXA2RFABP4PKMP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150268246-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2015-09-24 US disclosed
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
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-1525265-B1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2011-07-20 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-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-7615646-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2009-11-10 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-20080076188-A1 Luminescent compounds SETA BIOMEDICALS, LLC 2008-03-27 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

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-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups IDO1, TDO2, IDO2 FOLH1 4593/4885ALDH1A1 1689/4885TBXA2R 4533/4885
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS IDO1, IDO2, INMT FOLH1 4440/4885ALDH1A1 1629/4885TBXA2R 4658/4885
US-20080076188-A1 Luminescent compounds REL, QRFPR, RCOR3 FOLH1 3522/4885ALDH1A1 1024/4885TBXA2R 974/4885

“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.