SCHEMBL6493086

SCHEMBL6493086

C=CCOC(=O)C(Cc1ccc(N)c(CC)c1)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.43
LNPEP Q9UIQ6 3/20 0.39
IDE P14735 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ERAP2 Q6P179 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
LCK P06239 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL6493485 0.80 ITGB3 (0.49) LNPEPITGB3ITGA2BPTPN1PTPN2
SCHEMBL6493488 0.80 ITGB3 (0.49) LNPEPITGB3ITGA2BPTPN1PTPN2
SCHEMBL14582841 0.79 TACR1 (0.50) TACR1LNPEPALDH1A1ERAP2TSHR
SCHEMBL9493914 0.78 TACR1 (0.61) TACR1ALDH1A1HSD17B10
SCHEMBL9493909 0.78 TACR1 (0.61) TACR1ALDH1A1HSD17B10
SCHEMBL26896456 0.76 TACR1 (0.47) TACR1ALDH1A1
SCHEMBL20905743 0.76 TACR1 (0.47) TACR1ALDH1A1
SCHEMBL3282594 0.75 TACR1 (0.53) TACR1ALDH1A1PTPN1PTPN2LCK
SCHEMBL6224832 0.75 TACR1 (0.53) TACR1ALDH1A1PTPN1PTPN2LCK
SCHEMBL8260495 0.73 ITGB3 (0.47) TACR1ITGB3ITGA2B

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 8 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
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP 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
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 TACR1 2750/4885LNPEP 2166/4885IDE 572/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TACR1 2748/4885LNPEP 2425/4885IDE 208/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TACR1 2748/4885LNPEP 2425/4885IDE 208/4885

“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.