SCHEMBL4522161

SCHEMBL4522161

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.79
L3MBTL1 Q9Y468 3/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
MMP9 P14780 7/20 0.64
MMP2 P08253 8/20 0.63
ADAMTS4 O75173 1/20 0.63
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
POLB P06746 1/20 0.60
ADAMTS5 Q9UNA0 1/20 0.56
MMP1 P03956 1/20 0.56
MMP3 P08254 1/20 0.56
MMP7 P09237 1/20 0.56
MMP13 P45452 1/20 0.56
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54

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
SCHEMBL6252463 1.00 TDP1 (0.79) TDP1L3MBTL1MEN1KMT2AMMP9
SCHEMBL8063645 0.89 TDP1 (0.78) TDP1L3MBTL1MEN1KMT2AMMP9
SCHEMBL1203540 0.89 MMP2 (0.79) TDP1MMP9MMP2ADAMTS4ALDH1A1
SCHEMBL697477 0.89 MMP2 (0.79) TDP1MMP9MMP2ADAMTS4ALDH1A1
SCHEMBL697476 0.89 MMP2 (0.79) TDP1MMP9MMP2ADAMTS4ALDH1A1
SCHEMBL8817150 0.88 TDP1 (0.77) TDP1L3MBTL1MEN1KMT2AMMP9
SCHEMBL8650150 0.88 TDP1 (0.77) TDP1L3MBTL1MEN1KMT2AMMP9
SCHEMBL8817154 0.88 TDP1 (0.77) TDP1L3MBTL1MEN1KMT2AMMP9
SCHEMBL8387442 0.88 TDP1 (0.77) TDP1L3MBTL1MEN1KMT2AMMP9
Hydrochloric Acid SCHEMBL3839410 0.88 MMP2 (0.77) TDP1MMP9MMP2ADAMTS4ALDH1A1

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
US-12522611-B2 Process for the preparation of high pure Eribulin and its Mesylate salt NATCO PHARMA LIMITED (IN) 2026-01-13 US disclosed
US-20220089607-A1 PROCESS FOR THE PREPARATION OF HIGH PURE ERIBULIN AND ITS MESYLATE SALT NATCO PHARMA LIMITED (IN) 2022-03-24 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
WO-2008022462-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2008-02-28 WO disclosed
EP-1377542-B1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES AMBRILIA BIOPHARMA INC (CA) 2007-08-01 EP disclosed
EP-1803706-A1 HIV protease inhibitors based on amino acid derivatives Ambrilia Biopharma Inc. (CA) 2007-07-04 EP disclosed
WO-2005057589-A2 MULTI-PURPOSE AUTOMATED RADIOTRACER SYNTHESIZER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-06-23 WO disclosed
US-6677367-B2 LYSINE DERIVATIVE WITH 2-AMINOSULFONYLTHIOPHENE SUBSTITUENT; ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS) VIRICIDES PHARMACOR INC. (CA) 2004-01-13 US disclosed
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-10-16 US disclosed
US-6610689-B2 Viricides PHARMACOR INC. (CA) 2003-08-26 US disclosed
US-6608100-B1 N-epsilon-amino acid substituted L-lysine sulfonamide derivatives possessing aspartyl protease inhibitory properties PHARMACOR INC. (CA) 2003-08-19 US disclosed
US-20030144265-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-07-31 US disclosed
US-20030119803-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-06-26 US disclosed
US-6506786-B2 Such as N-isobutyl-N-(4-methylbenzene-sulfonyl)-N-(N-(4-methylbenzenesulfonyl)-L -phenylalanyl)-L-lysine PHARMACOR INC. (CA) 2003-01-14 US disclosed
EP-1255531-A1 TANNING PREPARATION FOR THE SKIN Dija Zeist B.V. (NL) 2002-11-13 EP disclosed
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2002-10-17 US disclosed
WO-2002064551-A1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES PHARMACOR INC. (CA) 2002-08-22 WO disclosed
WO-2001060330-A1 TANNING PREPARATION FOR THE SKIN DIJA ZEIST B.V. (NL) 2001-08-23 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 (6 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-20030144265-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TDP1 3179/4885L3MBTL1 2747/4885MEN1 4422/4885
US-20220089607-A1 PROCESS FOR THE PREPARATION OF HIGH PURE ERIBULIN AND ITS MESYLATE SALT ERLIN1, ERLIN2, ERGIC1 TDP1 4667/4885L3MBTL1 4872/4885MEN1 756/4885
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TDP1 3179/4885L3MBTL1 2747/4885MEN1 4422/4885
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TDP1 3179/4885L3MBTL1 2747/4885MEN1 4422/4885
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 TDP1 1801/4885L3MBTL1 3540/4885MEN1 3482/4885
US-20030119803-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TDP1 3179/4885L3MBTL1 2747/4885MEN1 4422/4885

“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.