SCHEMBL22019557

SCHEMBL22019557

COC(=O)CCCCC(=O)NC(C)C(=O)NC(C)C(=O)P

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
RECQL P46063 1/20 0.40
FAAH O00519 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
REN P00797 2/20 0.36

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
SCHEMBL22019559 1.00 TSHR (0.42) TSHRRECQLFAAHKMT2AMEN1
SCHEMBL17570951 0.86 FAAH (0.50) TSHRRECQLFAAHKMT2AMEN1
SCHEMBL17570970 0.86 FAAH (0.50) TSHRRECQLFAAHKMT2AMEN1
SCHEMBL22018660 0.84 FAAH (0.56) FAAHKMT2AMEN1MAPK1ALDH1A1
SCHEMBL22018659 0.83 FAAH (0.39) FAAHKMT2AMEN1MAPK1
SCHEMBL22047456 0.83 FAAH (0.39) FAAHKMT2AMEN1MAPK1
SCHEMBL21418148 0.81 TSHR (0.42) TSHRRECQLFAAHKMT2AMEN1
SCHEMBL17570956 0.80 RECQL (0.39) TSHRRECQLKMT2AREN
SCHEMBL17616958 0.80 RECQL (0.39) TSHRRECQLKMT2AREN
SCHEMBL30946962 0.77 TSHR (0.42) TSHRRECQLKMT2AMEN1REN

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
US-20210230114-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-07-29 US disclosed
US-10913713-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-02-09 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

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-20210230114-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 TSHR 654/4885RECQL 4241/4885FAAH 2024/4885
US-10913713-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 TSHR 654/4885RECQL 4241/4885FAAH 2024/4885
US-20200172481-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 TSHR 654/4885RECQL 4241/4885FAAH 2024/4885

“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.