SCHEMBL6501251

SCHEMBL6501251

COC(=O)C(Cc1ccc(N)c(C(C)C)c1)NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.51
TACR1 P25103 3/20 0.46
ERAP2 Q6P179 2/20 0.46
LCK P06239 1/20 0.45
ERAP1 Q9NZ08 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
THRB P10828 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6501256 1.00 LNPEP (0.51) LNPEPTACR1ERAP2LCKERAP1
SCHEMBL7064332 0.87 ITGB3 (0.48) TACR1THRBALDH1A1
SCHEMBL4800831 0.83 TACR1 (0.57) LNPEPTACR1ERAP2LCKERAP1
SCHEMBL5228212 0.83 TACR1 (0.57) LNPEPTACR1ERAP2LCKERAP1
SCHEMBL30286967 0.79 TACR1 (0.52) LNPEPTACR1ERAP2ERAP1HDAC1
SCHEMBL6572925 0.79 TACR1 (0.52) LNPEPTACR1ERAP2ERAP1HDAC1
SCHEMBL8933138 0.79 TACR1 (0.52) LNPEPTACR1ERAP2ERAP1HDAC1
SCHEMBL11319927 0.79 ALDH1A1 (0.55) LNPEPTACR1ERAP2LCKALDH1A1
SCHEMBL8712763 0.77 TACR1 (0.72) TACR1HDAC1HDAC6ATM
SCHEMBL6664566 0.77 TACR1 (0.72) TACR1HDAC1HDAC6ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 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-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D LNPEP 2425/4885TACR1 2748/4885ERAP2 1201/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D LNPEP 2425/4885TACR1 2748/4885ERAP2 1201/4885

“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.