SCHEMBL1719932

SCHEMBL1719932

OC(SS)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MAPK1 P28482 1/20 0.42
AOC3 Q16853 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3648024 0.78 ALDH1A1 (0.46) LMNAMAPK1AOC3TSHRKDM4E
SCHEMBL8984994 0.77 ESR1 (0.44) LMNATSHRKDM4EHIF1ACYP2D6
SCHEMBL9633963 0.76 TSHR (0.46) LMNAMAPK1AOC3TSHRKDM4E
SCHEMBL22519675 0.74 LMNA (0.46) LMNAMAPK1AOC3TSHRKDM4E
SCHEMBL1268813 0.74 LMNA (0.46) LMNAMAPK1AOC3TSHRKDM4E
SCHEMBL775059 0.72 TSHR (0.44) TSHRCYP2D6SRC
SCHEMBL3718532 0.72 LMNA (0.41) LMNAMAPK1AOC3TSHRKDM4E
SCHEMBL6076547 0.70 LMNA (0.43) LMNAMAPK1AOC3TSHRKDM4E
SCHEMBL1720646 0.69
SCHEMBL8067280 0.69 TSHR (0.39) LMNAMAPK1AOC3TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3996749-A1 PEPTIDE CONJUGATES OF MICROTUBULE-TARGETING AGENTS AS THERAPEUTICS Cybrexa 3, Inc. (US) 2022-05-18 EP disclosed
EP-1617873-B1 Treatment of multi-drug resistant tumours by a conjugate of mitomycin C ALZA CORP (US) 2012-01-18 EP disclosed
US-7303760-B2 Method for treating multi-drug resistant tumors ALZA CORPORATION (US) 2007-12-04 US disclosed
US-7276248-B2 Conjugate having a cleavable linkage for use in a liposome ALZA CORPORATION (US) 2007-10-02 US disclosed
EP-1173222-B1 CONJUGATE HAVING A CLEAVABLE LINKAGE FOR USE IN A LIPOSOME ALZA CORP (US) 2006-09-27 EP disclosed
EP-1617873-A2 MITOMYCIN CONJUGATES CLEAVABLE BY THIOLS Alza Corporation (US) 2006-01-25 EP disclosed
US-6984396-B2 Conjugate having a cleavable linkage for use in a liposome ALZA CORPORATION (US) 2006-01-10 US disclosed
US-20050271715-A1 Conjugate having a cleavable linkage for use in a liposome YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2005-12-08 US disclosed
EP-1579874-A2 Conjugate having a cleavable linkage for use in a liposome ALZA Corporation (US) 2005-09-28 EP disclosed
WO-2004110497-A2 MITOMYCIN CONJUGATES CLEAVABLE BY THIOLS ALZA CORPORATION (US) 2004-12-23 WO disclosed
US-20040161455-A1 Method for treating multi-drug resistant tumors ALZA CORPORATION 2004-08-19 US disclosed
US-20030054028-A1 Conjugate having a cleavable linkage for use in a liposome ALZA CORPORATION 2003-03-20 US disclosed
US-6365179-B1 CONJUGATE FOR USE IN LIPOSOMAL DRUG-DELIVERY VEHICLE INCLUDING HYDROPHOBIC MOIETY SUITABLE FOR INCORPORATION INTO LIPOSOMAL LIPID BILAYER AND THERAPEUTIC DRUG COVALENTLY ATTACHED TO DITHIOBENZYL MOIETY IN ORTHO OR PARA POSITION ALZA CORPORATION 2002-04-02 US disclosed
EP-1173222-A2 CONJUGATE HAVING A CLEAVABLE LINKAGE FOR USE IN A LIPOSOME ALZA CORPORATION (US) 2002-01-23 EP disclosed
WO-2000064484-A2 CONJUGATE HAVING A CLEAVABLE LINKAGE FOR USE IN A LIPOSOME ALZA CORPORATION (US) 2000-11-02 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 (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-20050271715-A1 Conjugate having a cleavable linkage for use in a liposome LANCL1, LIPA, LYPLA2 LMNA 2100/4885MAPK1 4668/4885AOC3 2238/4885
US-20040161455-A1 Method for treating multi-drug resistant tumors CYP11A1, MGST3, ME3 LMNA 670/4885MAPK1 4738/4885AOC3 963/4885
US-20030054028-A1 Conjugate having a cleavable linkage for use in a liposome LANCL1, LIPA, LYPLA2 LMNA 2100/4885MAPK1 4668/4885AOC3 2238/4885

“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.