SCHEMBL10086909

SCHEMBL10086909

CC(CCSSc1ccccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
EHMT2 Q96KQ7 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 10/20 0.43
HDAC2 Q92769 10/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.43
PTPRA P18433 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL14984788 0.85 EHMT2 (0.47) ALDH1A1EHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL19188184 0.83 HDAC1 (0.47) ALDH1A1EHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL25413647 0.83 ALDH1A1 (0.47) ALDH1A1EHMT2EHMT1APOBEC3GHDAC1
SCHEMBL25413645 0.83 ALDH1A1 (0.47) ALDH1A1EHMT2EHMT1APOBEC3GHDAC1
SCHEMBL4349165 0.82 ALDH1A1 (0.43) ALDH1A1EHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL1120030 0.82 ALDH1A1 (0.43) ALDH1A1EHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL31005446 0.82 ALDH1A1 (0.43) ALDH1A1EHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL14868086 0.82 EHMT2 (0.53) ALDH1A1EHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL24378432 0.81 HDAC1 (0.48) ALDH1A1EHMT2EHMT1APOBEC3GSMN1; SMN2
SCHEMBL10340548 0.80 LMNA (0.50) ALDH1A1SMN1; SMN2HDAC1HDAC2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153504-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS ImmunoGen, Inc. (US) 2017-04-12 EP disclosed
EP-2648510-B1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN INC (US) 2016-08-31 EP disclosed
US-9242936-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2016-01-26 US disclosed
US-20150166482-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. 2015-06-18 US disclosed
US-8921566-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2014-12-30 US disclosed
US-20140135502-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2014-05-15 US disclosed
US-20120165537-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2012-06-28 US 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 (3 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-20140135502-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS ALDH1A1 1316/4885EHMT2 430/4885EHMT1 453/4885
US-20150166482-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS ALDH1A1 1316/4885EHMT2 430/4885EHMT1 453/4885
US-20120165537-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS ALDH1A1 1316/4885EHMT2 430/4885EHMT1 453/4885

“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.