SCHEMBL1358872

SCHEMBL1358872

NCCSSCCNC(=O)N(CCCl)N=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.64
PMP22 Q01453 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.64
ABCB11 O95342 1/20 0.64
GSR P00390 1/20 0.64
TSHR P16473 1/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
ADRA2A P08913 2/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
Ditiomustine SCHEMBL607073 0.92 ALDH1A1 (0.74) BLMPMP22ALDH1A1MEN1ABCB11
SCHEMBL9856739 0.87 BLM (0.76) BLMPMP22ALDH1A1MEN1ABCB11
SCHEMBL9856556 0.80 ALDH1A1 (0.70) BLMPMP22ALDH1A1MEN1ABCB11
Carmustine SCHEMBL4503 0.79 ALDH1A1 (1.00) BLMPMP22ALDH1A1MEN1ABCB11
Carmustine SCHEMBL2047318 0.79 ALDH1A1 (1.00) BLMPMP22ALDH1A1MEN1ABCB11
SCHEMBL9856783 0.79 ALDH1A1 (0.68) BLMPMP22ALDH1A1MEN1ABCB11
Carmustine SCHEMBL5783727 0.78 ALDH1A1 (0.89) BLMPMP22ALDH1A1MEN1ABCB11
Elmustine SCHEMBL93476 0.77 ALDH1A1 (0.82) BLMPMP22ALDH1A1MEN1ABCB11
SCHEMBL11053528 0.75 ALDH1A1 (0.72) BLMPMP22ALDH1A1MEN1ABCB11
SCHEMBL10005923 0.74 ALDH1A1 (0.77) BLMPMP22ALDH1A1MEN1ABCB11

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-3779446-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE USING SALMONELLA T3SS EFFECTOR PROTEIN (SIPA) University of Massachusetts (US) 2021-02-17 EP disclosed
US-20210023169-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE USING SALMONELLA T3SS EFFECTOR PROTEIN (SipA) UNIVERSITY OF MASSACHUSETTS 2021-01-28 US disclosed
US-10835575-B2 Compositions and methods for treating disease using Salmonella T3SS effector protein (SipA) UNIVERSITY OF MASSACHUSETTS (US) 2020-11-17 US disclosed
EP-3084445-B1 COMPOSITIONS AND METHODS FOR TREATING DISEASE USING SALMONELLA T3SS EFFECTOR PROTEIN (SIPA) UNIV MASSACHUSETTS (US) 2020-10-28 EP disclosed
US-20190240286-A1 Compositions and Methods for Treating Disease Using Salmonella T3SS Effector Protein (SipA) UNIVERSITY OF MASSACHUSETTS 2019-08-08 US disclosed
US-10201589-B2 Compositions and methods for treating disease using Salmonella T3SS effector protein (SipA) UNIVERSITY OF MASSACHUSETTS (US) 2019-02-12 US disclosed
US-20170035837-A1 Compositions and Methods for Treating Disease Using Salmonella T3SS Effector Protein (SipA) UNIVERSITY OF MASSACHUSETTS (US) 2017-02-09 US disclosed
EP-3084445-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE USING SALMONELLA T3SS EFFECTOR PROTEIN (SIPA) University of Massachusetts (US) 2016-10-26 EP disclosed
WO-2015089268-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE USING SALMONELLA T3SS EFFECTOR PROTEIN (SIPA) UNIVERSITY OF MASSACHUSETTS (US) 2015-06-18 WO disclosed
EP-2181704-B1 Drug delivery from rapid gelling polymer composition ANGIOTECH INT AG (CH) 2015-05-06 EP disclosed
US-20040191843-A1 Cell-killing molecules and methods of use thereof PALO ALTO INSTITUTE OF MOLECULAR MEDICINE 2004-09-30 US disclosed
WO-2004070012-A2 CELL-KILLING MOLECULES AND METHODS OF USE THEREOF PALO ALTO INSTITUTE OF MOLECULAR MEDICINE (US) 2004-08-19 WO disclosed
WO-2004060346-A2 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION ANGIOTECH INTERNATIONAL AG (CH) 2004-07-22 WO disclosed
WO-2004060405-A2 TISSUE REACTIVE COMPOUNDS AND COMPOSITIONS AND USES THEREOF ANGIOTECH INTERNATIONAL AG (CH) 2004-07-22 WO disclosed
US-20030216758-A1 Coated surgical patches ANGIOTECH PHARMACEUTICALS, INC. (CA) 2003-11-20 US disclosed
US-20030144570-A1 Compositions and methods for treating disease utilizing a combination of radioactive therapy and cell-cycle inhibitors ANGIOTECH PHARMACEUTICALS, INC. (CA) 2003-07-31 US disclosed
WO-2003059408-A2 SURGICAL PATCHES WITH A BIOLOGICAL ACTIVE AGENT ANGIOTECH INTERNATIONAL AG (CH) 2003-07-24 WO disclosed
EP-1235598-A2 COMPOSITIONS OF A COMBINATION OF RADIOACTIVE THERAPY AND CELL-CYCLE INHIBITORS Angiotech Pharmaceuticals, Inc. (CA) 2002-09-04 EP disclosed
US-20020055666-A1 Compositions and methods for treating disease utilizing a combination of radioactive therapy and cell-cycle inhibitors ANGIOTECH INTERNATIONAL AG (CH) 2002-05-09 US disclosed
WO-2001036007-A2 COMPOSITIONS OF A COMBINATION OF RADIOACTIVE THERAPY AND CELL-CYCLE INHIBITORS ANGIOTECH PHARMACEUTICALS, INC. (CA) 2001-05-25 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 (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-20210023169-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE USING SALMONELLA T3SS EFFECTOR PROTEIN (SipA) TP53, CIP2A, ABCC1 BLM 1073/4885PMP22 2519/4885ALDH1A1 3162/4885
US-10835575-B2 Compositions and methods for treating disease using Salmonella T3SS effector protein (SipA) TP53, CIP2A, ABCC1 BLM 1073/4885PMP22 2519/4885ALDH1A1 3162/4885
US-20190240286-A1 Compositions and Methods for Treating Disease Using Salmonella T3SS Effector Protein (SipA) TP53, CIP2A, ABCC1 BLM 1073/4885PMP22 2519/4885ALDH1A1 3162/4885
US-20170035837-A1 Compositions and Methods for Treating Disease Using Salmonella T3SS Effector Protein (SipA) TP53, CIP2A, ABCC1 BLM 1073/4885PMP22 2519/4885ALDH1A1 3162/4885
US-10201589-B2 Compositions and methods for treating disease using Salmonella T3SS effector protein (SipA) TP53, CIP2A, ABCC1 BLM 1073/4885PMP22 2519/4885ALDH1A1 3162/4885

“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.