SCHEMBL22022378

SCHEMBL22022378

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CCc1c[nH]cn1)C(=O)NCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.42
▸ CALCR P30988 4/20 0.41
▸ CTSL P07711 3/20 0.40
▸ CTSS P25774 3/20 0.40
▸ CTSK P43235 3/20 0.40
▸ CTSH P09668 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ CRHR1 P34998 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ NMBR P28336 2/20 0.40
▸ GRPR P30550 2/20 0.40
▸ FKBP4 Q02790 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ NTSR1 P30989 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
SCHEMBL29706215 0.78 F2 (0.45) F2CALCRPTPN1NTSR1
SCHEMBL29706189 0.77 F2 (0.47) F2CALCRCTSLCTSSCTSK
SCHEMBL31362657 0.76 NTSR2 (0.45) F2PTPN1NTSR1
SCHEMBL30769519 0.76 CTSL (0.41) F2CTSLCTSSCTSKCTSH
SCHEMBL29568610 0.75 XIAP (0.47) F2PTPN1NTSR1
SCHEMBL30933087 0.74 APLNR (0.56) F2CALCRHCRTR1HCRTR2CRHR1
SCHEMBL30769690 0.73 CTSL (0.39) F2CTSLCTSSCTSKCTSH
SCHEMBL18891555 0.72 F2 (0.46) F2CTSLCTSSCTSKCTSH
SCHEMBL30769779 0.72 TRHR (0.37) F2CTSLCTSSCTSKCTSH
SCHEMBL29800934 0.72 PTPN1 (0.42) PTPN1NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 — — 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 (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-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER TP53, KRAS, VHL F2 3745/4885CALCR 4458/4885CTSL 575/4885

“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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