SCHEMBL3582392

SCHEMBL3582392

CS(=O)(=O)c1cc([N+](=O)[O-])c(C(=O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.43
DTYMK P23919 1/20 0.42
POLB P06746 1/20 0.40
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL30854767 1.00 VCAM1 (0.43) VCAM1DTYMKPOLBTSHRTHRB
SCHEMBL8576640 0.94 VCAM1 (0.43) VCAM1DTYMKPOLBTSHRTHRB
SCHEMBL6573522 0.87 MAPT (0.44) VCAM1POLBTHRBALDH1A1MAPT
SCHEMBL15573015 0.85 DTYMK (0.40) VCAM1DTYMKPOLBTSHRALDH1A1
SCHEMBL3583323 0.84 VCAM1 (0.56) VCAM1POLBTHRBALDH1A1TDP1
SCHEMBL15573830 0.82 VCAM1 (0.44) VCAM1POLBTHRB
SCHEMBL23850658 0.80 VCAM1 (0.49) VCAM1THRBALDH1A1MAPTLMNA
SCHEMBL29550827 0.80 VCAM1 (0.49) VCAM1THRBALDH1A1MAPTLMNA
SCHEMBL405684 0.80 DTYMK (0.51) DTYMKTSHRALDH1A1MAPTLMNA
SCHEMBL13948939 0.79 DTYMK (0.50) VCAM1DTYMKTSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218627-B Prodrugs and their medical use 康维尔特制药有限公司 2024-04-16 CN disclosed
US-20210205299-A1 PRODRUGS AND MEDICAL USES THEREOF CONVERT PHARMACEUTICALS (BE) 2021-07-08 US disclosed
EP-3801481-A1 PRODRUGS AND MEDICAL USES THEREOF Convert Pharmaceuticals SA (BE) 2021-04-14 EP disclosed
CN-112218627-A Prodrugs and their use in medicine 康维尔特制药有限公司 2021-01-12 CN disclosed
EP-2888227-B1 NOVEL PRODRUGS AND METHODS OF USE THEREOF Convert Pharmaceuticals SA (BE) 2020-07-29 EP disclosed
US-20190153002-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2019-05-23 US disclosed
US-10202408-B2 Prodrugs and methods of use thereof HEALTH INNOVATION VENTURES B.V. (NL) 2019-02-12 US disclosed
US-20180148463-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2018-05-31 US disclosed
US-9873710-B2 Prodrugs and methods of use thereof HEALTH INNOVATION VENTURES B.V. (NL) 2018-01-23 US disclosed
US-20170044191-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2017-02-16 US disclosed
EP-2888227-A1 NOVEL PRODRUGS AND METHODS OF USE THEREOF Auckland Uniservices Limited (NZ) 2015-07-01 EP disclosed
WO-2014031012-A1 NOVEL PRODRUGS AND METHODS OF USE THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2014-02-27 WO disclosed
CN-1902159-B Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LTD 2010-06-09 CN disclosed
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2010-01-14 US disclosed
US-7629332-B2 Nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2009-12-08 US disclosed
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNIVERVICES LIMITED (NZ) 2007-02-08 US disclosed
CN-1902159-A Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LTD (NZ) 2007-01-24 CN disclosed
EP-1680394-A4 NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS AUCKLAND UNISERVICES LTD (NZ) 2006-10-11 EP disclosed
EP-1680394-A1 NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS Auckland Uniservices Limited (NZ) 2006-07-19 EP disclosed
WO-2005042471-A1 NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 2005-05-12 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 (7 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-20180148463-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 VCAM1 3435/4885DTYMK 262/4885POLB 952/4885
US-20190153002-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 VCAM1 3435/4885DTYMK 262/4885POLB 952/4885
US-20210205299-A1 PRODRUGS AND MEDICAL USES THEREOF GLS, BAD, WEE1 VCAM1 4558/4885DTYMK 732/4885POLB 3940/4885
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, PNP VCAM1 957/4885DTYMK 1246/4885POLB 3572/4885
US-10202408-B2 Prodrugs and methods of use thereof AKR1C3, AKR1C2, AKR1C1 VCAM1 3751/4885DTYMK 304/4885POLB 1784/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR VCAM1 960/4885DTYMK 1141/4885POLB 3718/4885
US-20170044191-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 VCAM1 3435/4885DTYMK 262/4885POLB 952/4885

“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.