SCHEMBL21972921

SCHEMBL21972921

CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 9/20 0.40
▸ NMT2 O60551 8/20 0.40
▸ TLR2 O60603 1/20 0.38
▸ ROCK2 O75116 3/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ AKT3 Q9Y243 1/20 0.37
▸ CD40 P25942 2/20 0.37
▸ OPRL1 P41146 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ SSTR2 P30874 1/20 0.35

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
SCHEMBL20287670 0.90 NMT1 (0.41) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL22134346 0.90 NMT1 (0.41) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL17860132 0.90 NMT1 (0.41) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL24993722 0.88 FURIN (0.42) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL20381076 0.88 SSTR2 (0.37) NMT1NMT2OPRL1AKT1SSTR2
SCHEMBL20287697 0.87 NMT1 (0.38) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL20889000 0.84 NMT1 (0.46) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL23436462 0.84 NMT1 (0.46) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL17722906 0.83 NMT1 (0.48) NMT1NMT2TLR2ROCK2PRKACA
SCHEMBL24780979 0.82 NMT1 (0.44) NMT1NMT2TLR2ROCK2PRKACA

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-11071788-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with antiB7H3-antibodies BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-27 — — US disclosed
US-20200138970-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTIB7H3-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 — — 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-11071788-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with antiB7H3-antibodies KIF23, KIF5B, KIF2C NMT1 3996/4885NMT2 3995/4885TLR2 4857/4885
US-20200138970-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTIB7H3-ANTIBODIES KIF23, KIF5B, KIF2C NMT1 3996/4885NMT2 3995/4885TLR2 4857/4885

“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.

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