SCHEMBL6161726

SCHEMBL6161726

O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.78
TXNRD3 Q86VQ6 1/20 0.78
TXNRD2 Q9NNW7 1/20 0.78
MAPT P10636 7/20 0.60
NPSR1 Q6W5P4 2/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 4/20 0.57
GPR35 Q9HC97 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HIF1A Q16665 1/20 0.57
MGLL Q99685 4/20 0.53
HTT P42858 3/20 0.53
FAAH O00519 3/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.51

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
SCHEMBL30128616 1.00 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL8442596 0.92 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL8379730 0.89 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL8442593 0.89 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL1032814 0.88 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL11823867 0.87 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL3990991 0.86 TXNRD1 (0.75) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL5024763 0.85 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL8530183 0.85 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL10332736 0.84 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648510-B1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN INC (US) 2016-08-31 EP claimed
US-9242936-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2016-01-26 US claimed
US-20150166482-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. 2015-06-18 US claimed
US-8598362-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2013-12-03 US claimed
EP-2648510-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS ImmunoGen, Inc. (US) 2013-10-16 EP claimed
CN-103260406-A Method for producing charged crosslinkers IMMUNOGEN INC 2013-08-21 CN claimed
US-20120165537-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2012-06-28 US claimed
WO-2012078868-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2012-06-14 WO claimed
JP-57032382-A None JP disclosed
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
CN-117865987-A Antitumor compounds 法马马有限公司 2024-04-12 CN disclosed
EP-0248932-B1 PROCESS FOR PREPARING POLYAMIDES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-09 EP disclosed
US-4754016-A Process for preparing polyamide with organic phosphine/organic disulfide mixture condensing agent ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-06-28 US disclosed
EP-0248932-A1 Process for preparing polyamides Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-12-16 EP disclosed
US-4618721-A Process for the preparation of nitrodiphenyl disulfides CIBA-GEIGY CORPORATION (US) 1986-10-21 US disclosed
EP-0116827-A2 Process for the preparation of benzothiazoles BAYER AG (DE) 1984-08-29 EP disclosed
JP-S5732382-A ANTICORROSIVE FOR AEROSOL CONTAINER TOYO AEROSOL KOGYO KK 1982-02-22 JP 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-20150166482-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS TXNRD1 2736/4885TXNRD3 1717/4885TXNRD2 2718/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL TXNRD1 1672/4885TXNRD3 2177/4885TXNRD2 3792/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 TXNRD1 543/4885TXNRD3 1210/4885TXNRD2 1060/4885
US-20120165537-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS TXNRD1 2736/4885TXNRD3 1717/4885TXNRD2 2718/4885

“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.