SCHEMBL6041024

SCHEMBL6041024

[CH2]C(S)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.44
CES1 P23141 1/20 0.43
HPGD P15428 1/20 0.42
CYP19A1 P11511 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL472058 0.82 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL27298149 0.78 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL5703968 0.78 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL20377072 0.78 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL28372644 0.78 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL27594561 0.78 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL1145203 0.78 HSD17B10 (0.52) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL7491094 0.78 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL2853294 0.78 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL1047553 0.77 MAPT (0.70) ALDH1A1MAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060018914-A1 Novel antibody conjugates reactive with human carcinomas BRISTOL-MYERS SQUIBB COMPANY 2006-01-26 US disclosed
EP-0554708-B9 Thioether conjugates BRISTOL MYERS SQUIBB CO (US) 2005-07-27 EP disclosed
EP-0554708-B1 Thioether conjugates BRISTOL MYERS SQUIBB CO (US) 2005-05-04 EP disclosed
US-20040043029-A1 Novel antibodies reactive with human carcinomas BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US disclosed
US-20040001801-A1 Conjugates activated by cell surface proteases and therapeutic uses thereof CORVAS INTERNATIONAL, INC. 2004-01-01 US disclosed
EP-0926955-A4 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO INC (US) 2003-05-07 EP disclosed
US-20020192223-A1 Novel antibody conjugates reactive with human carcinomas HELLSTROM INGEGERG (US) 2002-12-19 US disclosed
EP-0771209-B1 NOVEL PEPTIDES MERCK & CO INC (US) 2002-09-04 EP disclosed
US-6391305-B1 CONJUGATE WHICH COMPRISES CYTOTOXIC AGENT ATTACHED AT C-TERMINUS TO OLIGOPEPTIDE COMPRISING AMINO ACID SEQUENCE SELECTIVELY PROTEOLYTICALLY CLEAVED BY FREE PROSTATE SPECIFIC ANTIGEN, ALSO COMPRISING N-TERMINUS HYDROPHILIC BLOCKING GROUP MERCK & CO., INC. 2002-05-21 US disclosed
EP-0853483-A4 NOVEL PEPTIDES MERCK & CO INC (US) 2001-11-28 EP disclosed
WO-1998010651-A1 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 1998-03-19 WO disclosed
US-5708146-A ANTIBODIES AND DRUGS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-13 US disclosed
EP-0771209-A2 NOVEL PEPTIDES Merck & Co., Inc. (a New Jersey corp.) (US) 1997-05-07 EP disclosed
WO-1997014416-A1 CONJUGATES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1997-04-24 WO disclosed
US-5622929-A ANTHRACYCLINE ANTIBIOTIC; ANTITUMOR AGENT BINDS WITH A TARGET CELL BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-22 US disclosed
WO-1997012624-A1 NOVEL PEPTIDES MERCK & CO., INC. (US) 1997-04-10 WO disclosed
US-5606017-A ANTITUMOR AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-02-25 US disclosed
US-5599686-A OLIGOPEPTIDE COMPRISING SEQUENCE OF AMINO ACIDS RECOGNIZED AND SELECTIVELY PROTEOLYTICALLY CLEAVED BY FREE PROSTATE SPECIFIC ANTIGEN MERCK & CO., INC. (US) 1997-02-04 US disclosed
WO-1996000503-A1 NOVEL PEPTIDES MERCK & CO., INC. (US) 1996-01-11 WO disclosed
EP-0554708-A1 Thioether conjugates Bristol-Myers Squibb Company (US) 1993-08-11 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-20020192223-A1 Novel antibody conjugates reactive with human carcinomas LY96, FUCA2, FUCA1 ALDH1A1 4180/4885MAPT 4580/4885MEN1 2837/4885
US-20040043029-A1 Novel antibodies reactive with human carcinomas LY96, FUCA1, FUCA2 ALDH1A1 4306/4885MAPT 4614/4885MEN1 2953/4885
US-20040001801-A1 Conjugates activated by cell surface proteases and therapeutic uses thereof PLAUR, ENPEP, MASP2 ALDH1A1 3216/4885MAPT 1302/4885MEN1 1569/4885
US-20060018914-A1 Novel antibody conjugates reactive with human carcinomas LY96, FUCA2, FUCA1 ALDH1A1 4153/4885MAPT 4502/4885MEN1 3141/4885

“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.