SCHEMBL4296859

SCHEMBL4296859

CC1=Nc2ccc3cc(S(=O)(=O)O)ccc3c2C1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 5/20 0.43
CASP6 P55212 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
SNCA P37840 2/20 0.40
NSD2 O96028 3/20 0.39
NT5E P21589 2/20 0.38
HIF1A Q16665 3/20 0.38
TSHR P16473 1/20 0.38
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38

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
SCHEMBL28948590 0.99 MEN1 (0.55) MEN1KMT2AALDH1A1CASP6CYP2C9
SCHEMBL9815014 0.99 MEN1 (0.55) MEN1KMT2AALDH1A1CASP6CYP2C9
SCHEMBL101283 0.90 KMT2A (0.57) MEN1KMT2AALDH1A1CASP6CYP2C9
Potassium Ion SCHEMBL4296985 0.88 MEN1 (0.55) MEN1KMT2AALDH1A1CASP6CYP2C9
SCHEMBL4021394 0.88 MEN1 (0.55) MEN1KMT2AALDH1A1CASP6CYP2C9
SCHEMBL9815017 0.88 MEN1 (0.55) MEN1KMT2AALDH1A1CASP6CYP2C9
Potassium Ion SCHEMBL30084855 0.88 MEN1 (0.55) MEN1KMT2AALDH1A1CASP6CYP2C9
SCHEMBL136734 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1CASP6CYP2C9
SCHEMBL16361913 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1CASP6CYP2C9
SCHEMBL18293533 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1CASP6CYP2C9

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 25 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-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
EP-0350026-A2 Infrared filter dye for photographic element EASTMAN KODAK COMPANY (US) 1990-01-10 EP 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 (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-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM GRN, NPM1, NEFM MEN1 472/4885KMT2A 4175/4885ALDH1A1 2660/4885
US-20150073154-A1 Discrete PEG Based Dyes MKI67, MUC1, TP53 MEN1 2840/4885KMT2A 4642/4885ALDH1A1 958/4885
US-20170035915-A1 FLUORESCENT CONJUGATES MKI67, CD99, TPD52L2 MEN1 122/4885KMT2A 1789/4885ALDH1A1 467/4885
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM MEN1 541/4885KMT2A 574/4885ALDH1A1 653/4885

“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.