SCHEMBL2677869

SCHEMBL2677869

CC1N(CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
KDM4A O75164 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GNRHR P30968 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL6018477 0.96 MEN1 (0.35) MEN1KMT2AMAPTKDM4APOLB
SCHEMBL27699697 0.93 KMT2A (0.37) MEN1KMT2AMAPTKDM4APOLB
SCHEMBL16696040 0.86 KMT2A (0.35) MEN1KMT2AMAPTKDM4APOLB
SCHEMBL15624033 0.85 MEN1 (0.36) MEN1KMT2AMAPTKDM4APOLB
SCHEMBL23724052 0.84 APEX1 (0.36) MEN1KMT2AMAPTKDM4APOLB
SCHEMBL1065475 0.84 APEX1 (0.36) MEN1KMT2AMAPTKDM4APOLB
SCHEMBL997083 0.84
SCHEMBL3868601 0.83 GNRHR (0.39) MEN1KMT2AMAPTKDM4APOLB
SCHEMBL17838804 0.83 GNRHR (0.39) MEN1KMT2AMAPTKDM4APOLB
SCHEMBL608262 0.83 MAPT (0.36) MEN1KMT2AMAPTKDM4APOLB

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
EP-1934202-B1 NICOTINIC ACID AND PICOLINIC ACID DERIVED NEAR-INFRARED FLUOROPHORES VISEN MEDICAL INC (US) 2019-01-09 EP disclosed
EP-2912464-B1 HYDROXAMATE SUBSTITUTED AZAINDOLINE-CYANINE DYES AND BIOCONJUGATES OF THE SAME BECTON DICKINSON CO (US) 2017-04-26 EP disclosed
EP-2758475-B1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIDGE LTD (GB) 2017-04-26 EP disclosed
US-20160176819-A1 ASYMMETRICALLY CHARGED NIR FLUOROPHORES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 US disclosed
US-8771646-B2 Nicotinic acid and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2014-07-08 US disclosed
US-20130272967-A1 Nicotinic Acid and Picolinic Acid Derived Near-Infrared Fluorophores VISEN MEDICAL, INC. 2013-10-17 US disclosed
US-8455651-B2 Nicotinic acid and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2013-06-04 US disclosed
US-20120321562-A1 NICOTINIC ACID AND PICOLINIC ACID DERIVED NEAR-INFRARED FLUOROPHORES VISEN MEDICAL, INC. 2012-12-20 US disclosed
US-8173819-B2 Nicotinic and picolinic acid derived near-infrared fluorophores VISEN MEDICAL, INC. (US) 2012-05-08 US disclosed
US-20080267883-A1 Comprises carboxyl or carbonyl functionalized pyridine moiety; bioconjugation; biocompatability; in vivo optical imaging VISEN MEDICAL, INC. 2008-10-30 US disclosed
EP-1934202-A2 NICOTINIC ACID AND PICOLINIC ACID DERIVED NEAR-INFRARED FLUOROPHORES Visen Medical, Inc. (US) 2008-06-25 EP disclosed
WO-2007028118-A2 NICOTINIC ACID AND PICOLINIC ACID DERIVED NEAR-INFRARED FLUOROPHORES VISEN MEDICAL, INC. (US) 2007-03-08 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-20120321562-A1 NICOTINIC ACID AND PICOLINIC ACID DERIVED NEAR-INFRARED FLUOROPHORES NAPRT, NAMPT, HCAR2 MEN1 2144/4885KMT2A 4156/4885MAPT 1101/4885
US-20130272967-A1 Nicotinic Acid and Picolinic Acid Derived Near-Infrared Fluorophores NAPRT, NAMPT, HCAR2 MEN1 2144/4885KMT2A 4156/4885MAPT 1101/4885
US-20160176819-A1 ASYMMETRICALLY CHARGED NIR FLUOROPHORES CRY2, PARP15, CRY1 MEN1 2399/4885KMT2A 2054/4885MAPT 3307/4885
US-20080267883-A1 Comprises carboxyl or carbonyl functionalized pyridine moiety; bioconjugation; biocompatability; in vivo optical imaging PAICS, PC, CBR3 MEN1 1959/4885KMT2A 4448/4885MAPT 3127/4885

“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.