SCHEMBL20041046

SCHEMBL20041046

NC(=O)COCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.45
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CCKAR P32238 1/20 0.38
CCKBR P32239 1/20 0.38
FAAH O00519 2/20 0.37
OPRD1 P41143 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
PSMB5 P28074 1/20 0.37

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
SCHEMBL20345224 1.00 AKT1 (0.45) AKT1ALDH1A1SMN1; SMN2CHRNB2CHRNB4
SCHEMBL25877172 0.97 AKT1 (0.43) AKT1ALDH1A1SMN1; SMN2CCKARCCKBR
SCHEMBL26170798 0.95 OPRD1 (0.43) AKT1OPRD1OPRM1OPRK1PSMB5
SCHEMBL25877099 0.94 AKT1 (0.43) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1
SCHEMBL28385636 0.93 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1
SCHEMBL22768342 0.93 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1
SCHEMBL17003582 0.93 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1
SCHEMBL28385639 0.93 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1
SCHEMBL18224261 0.93 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1
SCHEMBL23790034 0.92 AKT1 (0.40) AKT1ALDH1A1SMN1; SMN2CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3958977-B1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN INC (US) 2023-09-13 EP disclosed
US-20220133711-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. 2022-05-05 US disclosed
US-20210077482-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. 2021-03-18 US disclosed
EP-2907824-B1 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2018-04-11 EP 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-20210077482-A1 CAMPTOTHECIN DERIVATIVES TOP2A, TOP2B, PCNA AKT1 117/4885ALDH1A1 1182/4885SMN1; SMN2 4361/4885
US-20220133711-A1 CAMPTOTHECIN DERIVATIVES TOP2A, TOP2B, PCNA AKT1 117/4885ALDH1A1 1182/4885SMN1; SMN2 4361/4885

“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.