SCHEMBL4296863

SCHEMBL4296863

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP6 P55212 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 3/20 0.40
SNCA P37840 2/20 0.39
NSD2 O96028 3/20 0.37
NT5E P21589 2/20 0.37
HIF1A Q16665 3/20 0.36
TSHR P16473 1/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36

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
SCHEMBL4296989 0.99 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL3433055 0.91 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL1369159 0.81 SUMO2 (0.40) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL304685 0.77 CA1 (0.38) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL304686 0.77 CA1 (0.38) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL1714853 0.77 CASP6 (0.35) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL560834 0.76 CA1 (0.38) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL1305294 0.72 MEN1 (0.42) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL4296859 0.70 MEN1 (0.56) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL18794806 0.70 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM CHAMEDITECH CO., LTD. (KR) 2018-11-15 US disclosed
EP-3166606-B1 FLUORESCENT CONJUGATES SURGIMAB S A S (FR) 2018-05-09 EP disclosed
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2018-03-22 US disclosed
US-9821079-B2 Fluorescent conjugates SURGIMAB S.A.S. (FR) 2017-11-21 US disclosed
US-20170035915-A1 FLUORESCENT CONJUGATES SURGIMAB S.A.S. (FR) 2017-02-09 US disclosed
WO-2016193396-A1 FLUORESCENT CONJUGATES SURGIMAB S.A.S. (FR) 2016-12-08 WO disclosed
WO-2016111602-A2 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM 차의과학대학교 산학협력단 2016-07-14 WO disclosed
US-9273089-B2 Composite probes and use thereof in super resolution methods THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-01 US disclosed
US-20150073154-A1 Discrete PEG Based Dyes EQUIP, LLC (US) 2015-03-12 US disclosed
US-8547533-B2 Composite probes and use thereof in super resolution methods THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-10-01 US disclosed
US-20090041670-A1 Near Infrared Fluorescent Contrast Agent And Method For Fluorescence Imaging BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-12 US disclosed
US-7473415-B2 Near infrared fluorescent contrast agent and method for fluorescence imaging FUJI PHOTO FILM CO., LTD. (JP) 2009-01-06 US disclosed
EP-1480683-B1 NEAR INFRARED FLUORESCENT CONTRAST AGENT AND METHOD FOR FLUORESCENCE IMAGING FUJIFILM CORP (JP) 2008-05-14 EP disclosed
WO-2008054600-A2 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY ENSEMBLE DISCOVERY CORPORATION (US) 2008-05-08 WO disclosed
US-7312326-B2 Fluorescent labeled nucleotide derivatives BECKMAN COULTER, INC. (US) 2007-12-25 US disclosed
EP-0350026-B1 Infrared filter dye for photographic element EASTMAN KODAK CO (US) 1994-10-12 EP disclosed
EP-0251282-B1 NOVEL INFRARED ABSORBING DYES AND PHOTOGRAPHIC ELEMENTS CONTAINING SAME EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1991-04-17 EP disclosed
US-4933269-A COOL IMAGE TONE EASTMAN KODAK COMPANY (US) 1990-06-12 US disclosed
US-4876181-A ANTIHALATION, ANTISTAINING AGENTS; CYANINE DYES OF INDOLE, BENZINDOLE OR NAPHTHINDOLE TYPES EASTMAN KODAK COMPANY (US) 1989-10-24 US disclosed
EP-0251282-A2 Novel infrared absorbing dyes and photographic elements containing same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-01-07 EP 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 (5 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-20090041670-A1 Near Infrared Fluorescent Contrast Agent And Method For Fluorescence Imaging ARG1, F12, CD68 ALDH1A1 2706/4885MEN1 12/4885KMT2A 2967/4885
US-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM GRN, NPM1, NEFM ALDH1A1 2660/4885MEN1 472/4885KMT2A 4175/4885
US-20150073154-A1 Discrete PEG Based Dyes MKI67, MUC1, TP53 ALDH1A1 958/4885MEN1 2840/4885KMT2A 4642/4885
US-20170035915-A1 FLUORESCENT CONJUGATES MKI67, CD99, TPD52L2 ALDH1A1 467/4885MEN1 122/4885KMT2A 1789/4885
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM ALDH1A1 653/4885MEN1 541/4885KMT2A 574/4885

“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.