SCHEMBL3326237

SCHEMBL3326237

CC(CO[C]=O)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 10/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 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
SCHEMBL22658035 0.82 ALDH1A1 (0.34) SRCALDH1A1LMNA
SCHEMBL14782111 0.82 SRC (0.48) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL3759745 0.82 SRC (0.51) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL17257753 0.81 MAPT (0.54) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL125664 0.81 MAPT (0.54) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL3759748 0.81 SRC (0.50) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL12050503 0.81 ALDH1A1 (0.53) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL3759750 0.81 SRC (0.50) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL1898972 0.80 TXNRD1 (0.49) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL12050506 0.80 SRC (0.49) SRCMAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
EP-4140988-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF Merck Serono S.A. (CH) 2023-03-01 EP claimed
EP-3400217-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF Merck Serono S.A. (CH) 2018-11-14 EP claimed
US-20180149611-A1 BIOSENSOR AND METHOD OF FORMING PROBE ON SOLID SURFACE OF BIOSENSOR Caduceus Biotechnology Inc. (TW) 2018-05-31 US claimed
US-9834528-B2 Alpha-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof MERCK SERONO S.A. (CH) 2017-12-05 US claimed
WO-2017118641-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF MERCK SERONO S.A. (CH) 2017-07-13 WO claimed
US-20170190677-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF MERCK SERONO S.A. (CH) 2017-07-06 US claimed
WO-2015107071-A1 GENETICALLY ENCODED SPIN LABEL Universität Konstanz (DE) 2015-07-23 WO claimed
US-20140142253-A1 Dithiolane Based Thiol Modifier For Labeling and Stronger Immobilization of Bio-Molecules On Solid Surfaces CHEMGENES CORPORATION (US) 2014-05-22 US claimed
WO-2013126034-A1 SYNTHESIS OF HIGH PURITY DMT-C3-DISULFIDE PHOSPHORAMIDITE CHEMGENES CORPORATION (US) 2013-08-29 WO claimed
US-8246754-B2 Process for removing ink from printed substrate HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-08-21 US claimed
US-20240240114-A1 Improved Combination of Protease and Protease Inhibitor with Secondary Enzyme BASF SE (DE) 2024-07-18 US disclosed
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 US disclosed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO disclosed
US-20240132808-A1 Storage-Stable Hydrolase Containing Liquids BASF SE (DE) 2024-04-25 US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-20060122408-A1 Photogenerated reagents LC SCIENCES LC 2006-06-08 US disclosed
US-6965040-B1 Photogenerated reagents Gao, Xiaolian (US) 2005-11-15 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 (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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS SRC 3537/4885MAPT 4562/4885MEN1 361/4885
US-20140142253-A1 Dithiolane Based Thiol Modifier For Labeling and Stronger Immobilization of Bio-Molecules On Solid Surfaces PTMS, SPOUT1, SRMS SRC 3696/4885MAPT 2954/4885MEN1 3941/4885
US-20170190677-A1 ALPHA-AMINO ESTERS OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF PGF, PTGER1, PTGFR SRC 408/4885MAPT 2331/4885MEN1 4686/4885
US-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885MEN1 2779/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885MAPT 2596/4885MEN1 2779/4885

“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.