SCHEMBL2208531

SCHEMBL2208531

CC(CCC(=O)O[N+]1(S(=O)(=O)O)C(=O)CCC1=O)SSc1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KMT2A Q03164 4/20 0.31
MAPT P10636 4/20 0.31
MEN1 O00255 3/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PKM P14618 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL1137466 0.82 PKM (0.35) SMN1; SMN2HPGDALDH1A1KMT2AMAPT
SCHEMBL29398201 0.76 LMNA (0.37) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL109627 0.76 LMNA (0.37) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL20384698 0.76 LMNA (0.37) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL30767122 0.76 LMNA (0.36) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL18958956 0.74 LMNA (0.40) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL1395632 0.73 ALDH1A1 (0.54) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL16132816 0.73 ALDH1A1 (0.54) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL25854290 0.73 EHMT2 (0.44) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL2208529 0.73 LMNA (0.34) LMNASMN1; SMN2HPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390370-B1 METHODS FOR PREPARATION OF CYTOTOXIC CONJUGATES OF MAYTANSINOIDS AND CELL BINDING AGENTS IMMUNOGEN INC (US) 2016-04-13 EP disclosed
EP-2348024-B1 Methods for preparation of cytotoxic conjugates of maytansinoids and cell binding agents IMMUNOGEN INC (US) 2015-07-29 EP disclosed
EP-2348024-A2 Methods for preparation of cytotoxic conjugates of maytansinoids and cell binding agents ImmunoGen, Inc. (US) 2011-07-27 EP disclosed
US-7368565-B2 Methods for preparation of cytotoxic conjugates of maytansinoids and cell binding agents IMMUNOGEN INC. (US) 2008-05-06 US disclosed
EP-1390370-A4 METHODS FOR PREPARATION OF CYTOTOXIC CONJUGATES OF MAYTANSINOIDS AND CELL BINDING AGENTS IMMUNOGEN INC (US) 2005-07-06 EP disclosed
EP-1390370-A1 METHODS FOR PREPARATION OF CYTOTOXIC CONJUGATES OF MAYTANSINOIDS AND CELL BINDING AGENTS Immunogen, Inc. (US) 2004-02-25 EP disclosed
US-20030055226-A1 Methods for preparation of cytotoxic conjugates of maytansinoids and cell binding agents IMMUNOGEN, INC. 2003-03-20 US disclosed
WO-2002098883-A1 METHODS FOR PREPARATION OF CYTOTOXIC CONJUGATES OF MAYTANSINOIDS AND CELL BINDING AGENTS IMMUNOGEN, INC. (US) 2002-12-12 WO disclosed
US-6441163-B1 COUPLING MAYTANSINOIDS HAVING DISULFIDE LINKER BEARING REACTIVE MOIETY TO SUCH AS ANTIBODIES WITHOUT PRIOR MODIFICATION OF SAID ANTIBODY; ONE-STEP, HIGH YIELD, LOWER COST IMMUNOGEN, INC. 2002-08-27 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 (1 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-20030055226-A1 Methods for preparation of cytotoxic conjugates of maytansinoids and cell binding agents SPR, SELPLG, CD2BP2 LMNA 2357/4885SMN1; SMN2 1810/4885HPGD 1406/4885

“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.