SCHEMBL22768342

SCHEMBL22768342

O=C(O)COCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 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
SCHEMBL18224261 1.00 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL28385639 1.00 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL28385636 1.00 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL17003582 1.00 AKT1 (0.46) AKT1ALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL26502773 0.96 AKT1 (0.48) AKT1ALDH1A1SMN1; SMN2
SCHEMBL38658781 0.94 AKT1 (0.46) AKT1
SCHEMBL38658475 0.94 AKT1 (0.46) AKT1
SCHEMBL22452943 0.93 AKT1 (0.47) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1
SCHEMBL22452940 0.93 AKT1 (0.47) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1
SCHEMBL20345224 0.93 AKT1 (0.45) AKT1ALDH1A1SMN1; SMN2OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929738-A Antibody-drug conjugates 第一三共株式会社 2022-01-14 CN claimed
CN-113527418-B Preparation method of ADC linker 成都普康唯新生物科技有限公司 2022-05-03 CN disclosed
CN-113527418-A Preparation method of ADC linker 成都普赛唯新生物科技有限公司 2021-10-22 CN disclosed
US-20200385422-A1 METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-12-10 US disclosed
CN-111051330-A Improved preparation method of antibody-drug conjugate 第一三共株式会社 2020-04-21 CN 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-20200385422-A1 METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE UGT1A9, ALB, MRPL21 AKT1 4696/4885ALDH1A1 257/4885SMN1; SMN2 4412/4885

“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.