SCHEMBL20436320

SCHEMBL20436320

C[C@H](NC(=O)[C@H](C)NC(=O)CCCCC(=O)NCCN1C(=O)C=CC1=O)C(=O)P

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL20436175 1.00 AKT1 (0.36) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL25439225 0.89 PTGS1 (0.40) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL20485990 0.89 PTGS1 (0.40) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL22596587 0.89 AKT1 (0.37) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL26231710 0.89 AKT1 (0.37) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL20436734 0.89 PTGS1 (0.40) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL20436329 0.89 HTT (0.37) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL21276367 0.88 AKT1 (0.36) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL21276395 0.88 AKT1 (0.36) AKT1HTTHPGDSMN1; SMN2PTGS1
SCHEMBL24497006 0.88 AKT1 (0.36) AKT1HTTHPGDSMN1; SMN2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880656-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2024-03-20 EP disclosed
US-20230039161-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-02-09 US disclosed
US-20210230114-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-07-29 US disclosed
US-20210139510-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-05-13 US disclosed
US-10913713-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-02-09 US disclosed
US-10844078-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2020-11-24 US disclosed
US-20200172481-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-06-04 US disclosed
WO-2020102053-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2020-05-22 WO disclosed
US-10385071-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-08-20 US disclosed
WO-2018140435-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2018-08-02 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 (7 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-20210230114-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 AKT1 4176/4885HTT 3275/4885HPGD 1226/4885
US-10913713-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 AKT1 4176/4885HTT 3275/4885HPGD 1226/4885
US-10844078-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 AKT1 4176/4885HTT 3275/4885HPGD 1226/4885
US-10385071-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 AKT1 4176/4885HTT 3275/4885HPGD 1226/4885
US-20230039161-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 AKT1 4176/4885HTT 3275/4885HPGD 1226/4885
US-20210139510-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 AKT1 4176/4885HTT 3275/4885HPGD 1226/4885
US-20200172481-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 AKT1 4176/4885HTT 3275/4885HPGD 1226/4885

“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.