SCHEMBL17055002

SCHEMBL17055002

CN1CC[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
SIRT6 Q8N6T7 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KCNJ1 P48048 2/20 0.41
KCNH2 Q12809 2/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CRBN Q96SW2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17055001 1.00 MMP2 (0.46) MMP2MMP9SIRT6KDM4EKCNJ1
SCHEMBL17055196 1.00 MMP2 (0.46) MMP2MMP9SIRT6KDM4EKCNJ1
SCHEMBL7907214 0.81 MMP2 (0.46) MMP2MMP9SIRT6KDM4EKCNJ1
SCHEMBL18632382 0.79 ALDH1A1 (0.44) MMP2MMP9SIRT6LMNAALDH1A1
SCHEMBL17055305 0.79 CYP19A1 (0.57) MMP2MMP9ALDH1A1
SCHEMBL30912373 0.79 GRIN1 (0.42) MMP2MMP9HSD17B10
SCHEMBL17055004 0.79 CYP19A1 (0.57) MMP2MMP9ALDH1A1
SCHEMBL17055197 0.79 CYP19A1 (0.57) MMP2MMP9ALDH1A1
SCHEMBL18632353 0.79 GRIN1 (0.39) MMP2MMP9KMT2ASMN1; SMN2
SCHEMBL24596437 0.78 GRIN1 (0.55) MMP2MMP9KCNH2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
WO-2015131080-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2015-09-03 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-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MMP2 4736/4885MMP9 4284/4885SIRT6 1431/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MMP2 4736/4885MMP9 4284/4885SIRT6 1431/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MMP2 4736/4885MMP9 4284/4885SIRT6 1431/4885

“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.