SCHEMBL9965559

SCHEMBL9965559

CCNC(=O)C(O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.41
TSHR P16473 3/20 0.35
USP2 O75604 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
MCL1 Q07820 1/20 0.32
BDKRB1 P46663 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL14111953 1.00 PTGS1 (0.41) PTGS1KCNH2TSHRUSP2MMP1
SCHEMBL15597028 0.80 PTGS1 (0.65) PTGS1KCNH2TSHRUSP2MMP1
SCHEMBL31079231 0.79 PTGS1 (0.36) PTGS1KCNH2TSHRUSP2MMP1
SCHEMBL13575676 0.76 TSHR (0.37) TSHRUSP2MMP1MMP2MMP3
SCHEMBL13821899 0.76 TSHR (0.37) TSHRUSP2MMP1MMP2MMP3
SCHEMBL9963457 0.76 TSHR (0.37) TSHRUSP2MMP1MMP2MMP3
SCHEMBL4126930 0.74 TSHR (0.33) PTGS1KCNH2TSHRUSP2MMP1
SCHEMBL13821721 0.74 CA1 (0.39) TSHRUSP2MMP1MMP2MMP3
SCHEMBL2735577 0.74 DPP4 (0.46) PTGS1TSHRUSP2MMP1MMP2
SCHEMBL13575661 0.74 CA1 (0.39) TSHRUSP2MMP1MMP2MMP3

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-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 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 (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-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK PTGS1 3275/4885KCNH2 3336/4885TSHR 3612/4885
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 PTGS1 11/4885KCNH2 815/4885TSHR 4382/4885

“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.