SCHEMBL17253259

SCHEMBL17253259

CC(=O)OCCSSc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
EHMT2 Q96KQ7 1/20 0.46
EHMT1 Q9H9B1 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL14817461 0.92 HDAC1 (0.45) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL15777571 0.88 EHMT2 (0.48) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL30175601 0.87 LMNA (0.44) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL875324 0.87 LMNA (0.44) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL21111969 0.87 HDAC1 (0.41) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL31040491 0.87 ALDH1A1 (0.49) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL31040490 0.87 ALDH1A1 (0.49) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL844408 0.87 EHMT2 (0.47) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL903346 0.87 ALDH1A1 (0.49) LMNAEHMT2EHMT1APOBEC3GALDH1A1
SCHEMBL20095020 0.86 LMNA (0.45) LMNAEHMT2EHMT1APOBEC3GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021136808-A1 CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS ASCENDIS PHARMA A/S (DK) 2021-07-08 WO disclosed
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP disclosed
EP-3207069-B1 BIO-REDUCIBLE SELF-ASSEMBLED LIQUID CRYSTALLINE BLOCK COPOLYMER FOR DRUG DELIVERY UNIV CONNECTICUT (US) 2021-03-10 EP disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 US disclosed
US-20210024581-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS ENDOCYTE INC (US) 2021-01-28 US disclosed
US-10363250-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (US) 2019-07-30 US disclosed
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2017-08-31 US disclosed
US-20170240680-A1 BIO-REDUCIBLE SELF-ASSEMBLED LIQUID CRYSTALLINE BLOCK COPOLYMER FOR DRUG DELIVERY UNIVERSITY OF CONNECTICUT 2017-08-24 US disclosed
EP-3091026-A1 DISULFIDE-LINKED REVERSIBLE TERMINATORS Centrillion Technology Holdings Corporation (KY) 2016-11-09 EP disclosed
WO-2015168809-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2015-11-12 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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R LMNA 2193/4885EHMT2 4765/4885EHMT1 4755/4885
US-20210024581-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS CD44, HAVCR2, HCAR1 LMNA 903/4885EHMT2 3025/4885EHMT1 3384/4885
US-10363250-B2 Folate receptor binding conjugates of antifolates FOLR1, FOLR2, DHFR LMNA 4010/4885EHMT2 2264/4885EHMT1 2280/4885
US-20170246314-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR LMNA 4010/4885EHMT2 2264/4885EHMT1 2280/4885
US-20170240680-A1 BIO-REDUCIBLE SELF-ASSEMBLED LIQUID CRYSTALLINE BLOCK COPOLYMER FOR DRUG DELIVERY CRYAB, CRYAA, BLVRB LMNA 2569/4885EHMT2 4712/4885EHMT1 4708/4885

“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.