SCHEMBL3680694

SCHEMBL3680694

O=C(O)C1CCC(CNC(=O)C2(CN3C(=O)C=CC3=O)CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GNRHR P30968 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MDM2 Q00987 1/20 0.34
HPGD P15428 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL3220801 0.77 PLG (0.45) ALDH1A1CYP3A4TSHRGNRHRSMN1; SMN2
SCHEMBL2205126 0.77 PLG (0.45) ALDH1A1CYP3A4TSHRGNRHRSMN1; SMN2
Hydrochloric Acid SCHEMBL3940414 0.76 PLG (0.44) ALDH1A1CYP3A4TSHRGNRHRSMN1; SMN2
Hydrochloric Acid SCHEMBL483255 0.76 PLG (0.44) ALDH1A1CYP3A4TSHRGNRHRSMN1; SMN2
SCHEMBL23854822 0.73 PTGS1 (0.33) KMT2A
SCHEMBL20027283 0.73 EPHX1 (0.43) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL21658591 0.73 EPHX1 (0.43) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL13551016 0.73 EPHX1 (0.43) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL462922 0.72 CYP2C19 (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDNPSR1
SCHEMBL7262379 0.72 CETP (0.38) ALDH1A1TSHRCYP2C9BACE1

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
US-8410045-B2 Camptothecin-peptide conjugates and pharmaceutical compositions containing the same DRAIS PHARMACEUTICALS, INC. (US) 2013-04-02 US claimed
US-20100015136-A1 CAMPTOTHECIN-PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DIATOS, S.A. (FR) 2010-01-21 US claimed
EP-1998809-A2 CAMPTOTHECIN-CELL PENETRATING PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Diatos S.A. (FR) 2008-12-10 EP claimed
WO-2007113687-A2 CAMPTOTHECIN-CELL PENETRATING PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DIATOS S.A. (FR) 2007-10-11 WO claimed
CN-116406301-A SN38 peptide conjugates useful in the treatment of cancer 生物医药研究基金会机构(IRB巴塞罗那) 2023-07-07 CN disclosed
EP-2515944-B1 METHODS AND COMPOSITIONS RELATED TO ANNEXIN 1-BINDING COMPOUNDS SANFORD BURNHAM MED RES INST (US) 2020-04-22 EP disclosed
US-20170326245-A1 Methods and Compositions Related To Annexin 1-Binding Compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2017-11-16 US disclosed
US-9610359-B2 Methods and compositions related to annexin 1-binding compounds BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2017-04-04 US disclosed
EP-1998809-B1 CAMPTOTHECIN-CELL PENETRATING PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DRAIS PHARMACEUTICALS INC (US) 2014-06-25 EP disclosed
US-20130244956-A1 CAMPTOTHEAN-PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DRAIS PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
US-8410045-B2 Camptothecin-peptide conjugates and pharmaceutical compositions containing the same DRAIS PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-20120251453-A1 Methods and Compositions Related to Annexin 1-Binding Compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-10-04 US disclosed
US-20100015136-A1 CAMPTOTHECIN-PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DIATOS, S.A. (FR) 2010-01-21 US disclosed
EP-1998809-A2 CAMPTOTHECIN-CELL PENETRATING PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Diatos S.A. (FR) 2008-12-10 EP disclosed
WO-2007113687-A2 CAMPTOTHECIN-CELL PENETRATING PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DIATOS S.A. (FR) 2007-10-11 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 (2 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-20100015136-A1 CAMPTOTHECIN-PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME VIP, SLC19A1, CXCL12 ALDH1A1 3468/4885CYP3A4 3174/4885TSHR 3084/4885
US-20130244956-A1 CAMPTOTHEAN-PEPTIDE CONJUGATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME VIP, PTMS, FURIN ALDH1A1 3487/4885CYP3A4 2971/4885TSHR 2310/4885

“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.