SCHEMBL20349757

SCHEMBL20349757

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)OCCS(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.38
▸ CASP1 P29466 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ FURIN P09958 3/20 0.32
▸ PTGS1 P23219 4/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ SLC6A5 Q9Y345 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
SCHEMBL22349913 1.00 HRH1 (0.38) HRH1CASP1CTSLNMT2NMT1
SCHEMBL20381011 0.91 CASP1 (0.40) HRH1CASP1PTGS1PTGS2
SCHEMBL22349949 0.91 CASP1 (0.40) HRH1CASP1PTGS1PTGS2
SCHEMBL19776913 0.89 NMT2 (0.39) HRH1CTSLNMT2NMT1FURIN
SCHEMBL20349812 0.89 NMT2 (0.39) HRH1CTSLNMT2NMT1FURIN
SCHEMBL20287715 0.89 NMT2 (0.35) NMT2NMT1PTGS1PTGS2SLC6A5
SCHEMBL17860180 0.89 HRH1 (0.38) HRH1CASP1CTSLNMT2NMT1
SCHEMBL22134316 0.86 HRH1 (0.39) HRH1CASP1CTSLNMT2NMT1
SCHEMBL17860164 0.86 HRH1 (0.39) HRH1CASP1CTSLNMT2NMT1
SCHEMBL20287648 0.86 HRH1 (0.39) HRH1CASP1CTSLNMT2NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 — — US disclosed
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma AG (DE) 2018-07-05 — — US 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-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) KIF5B, KIF23, KIF2C HRH1 3205/4885CASP1 4544/4885CTSL 3798/4885
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES KIF23, KIF5B, KIF2C HRH1 462/4885CASP1 4673/4885CTSL 3652/4885

“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.

Send feedback