SCHEMBL18511502

SCHEMBL18511502

COC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.42
▸ NPY4R P50391 2/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ C3AR1 Q16581 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ BIRC2 Q13490 3/20 0.36
▸ PDF Q9HBH1 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ FURIN P09958 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32

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
SCHEMBL25875020 0.85 C3AR1 (0.47) FOLH1C3AR1SIRT5
SCHEMBL25148126 0.85 SIRT5 (0.38) FOLH1NPY4RNPY1RC3AR1SIRT1
SCHEMBL11913625 0.85 C3AR1 (0.47) FOLH1C3AR1SIRT5
SCHEMBL12222096 0.85 C3AR1 (0.47) FOLH1C3AR1SIRT5
SCHEMBL19057353 0.85 FOLH1 (0.40) FOLH1NPY4RNPY1RC3AR1TSHR
SCHEMBL5810079 0.82 SIRT1 (0.43) FOLH1NPY4RNPY1RC3AR1TSHR
SCHEMBL20997320 0.82 C3AR1 (0.34) NPY4RNPY1RC3AR1SIRT1SIRT5
SCHEMBL26222555 0.81 FURIN (0.42) FOLH1C3AR1FURIN
SCHEMBL28342732 0.79 CTSK (0.48) CA2
SCHEMBL17209941 0.79 CTSK (0.48) CA2

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-9669106-B2 Conjugate of monomethyl auristatin F and trastuzumab and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2017-06-06 — — US disclosed
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-04-27 — — US disclosed
US-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 — — US disclosed
US-20170043031-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 — — 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 (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-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 FOLH1 31/4885NPY4R 4349/4885NPY1R 4729/4885
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER AURKC, AURKA, EGFR FOLH1 66/4885NPY4R 3742/4885NPY1R 4453/4885
US-20170043031-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER IGF1R, IGFBP1, IGFBP5 FOLH1 195/4885NPY4R 1196/4885NPY1R 871/4885

“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