SCHEMBL12376684

SCHEMBL12376684

CC(C)CN(CC(=O)NC(C)C)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.39
MMP2 P08253 2/20 0.38
MMP13 P45452 2/20 0.38
MMP14 P50281 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
ADAM17 P78536 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
FAAH O00519 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12967167 0.85 KMT2A (0.39) MEN1KMT2ATSHRLMNAFAAH
SCHEMBL14393899 0.84 CYP2C19 (0.39) MMP3MMP2MMP13MMP14MMP1
SCHEMBL12410297 0.83 MMP3 (0.40) MMP3MMP2MMP13MMP14MMP1
SCHEMBL13565764 0.77 KMT2A (0.40) MMP3MMP2MMP13MMP1MMP8
SCHEMBL12376692 0.77 KMT2A (0.40) MMP3MMP2MMP13MMP1MMP9
SCHEMBL2288891 0.76 TAS2R14 (0.43) MMP3MMP2MMP13MMP14MMP1
SCHEMBL13342376 0.75 LMNA (0.65) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL10312295 0.75 PER2 (0.45) MMP3MMP2MMP13MMP14MMP1
SCHEMBL24894413 0.75 TAS2R14 (0.39) MMP3TSHRLMNATAS2R14PER2
SCHEMBL20314932 0.75 MEN1 (0.38) MMP3MEN1KMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (4 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MMP3 4577/4885MMP2 3685/4885MMP13 4625/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MMP3 3498/4885MMP2 3089/4885MMP13 3688/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK MMP3 3885/4885MMP2 3446/4885MMP13 4105/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MMP3 3498/4885MMP2 3089/4885MMP13 3688/4885

“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.