SCHEMBL1876558

SCHEMBL1876558

C[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
MMP12 P39900 3/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.49
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 1/20 0.47
HDAC3 O15379 1/20 0.47
MMP1 P03956 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
USP30 Q70CQ3 2/20 0.46
PARP10 Q53GL7 1/20 0.46
GRM5 P41594 1/20 0.46
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
SRD5A2 P31213 1/20 0.45

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
SCHEMBL1876560 1.00 MMP2 (0.52) MMP2MMP9MMP12ALDH1A1SMN1; SMN2
SCHEMBL1877240 0.87 PGR (0.55) ALDH1A1SMN1; SMN2LMNAPGRACACB
SCHEMBL1877237 0.87 PGR (0.55) ALDH1A1SMN1; SMN2LMNAPGRACACB
SCHEMBL7723710 0.86 CTSL (0.54) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL30827957 0.86 CTSL (0.54) ALDH1A1SMN1; SMN2LMNAHPGDHTT
SCHEMBL1878947 0.85 GPR132 (0.53) ALDH1A1SMN1; SMN2LMNAGRM5ACACB
SCHEMBL1878949 0.85 GPR132 (0.53) ALDH1A1SMN1; SMN2LMNAGRM5ACACB
SCHEMBL8738919 0.84 ALDH1A1 (0.64) MMP2MMP9MMP12ALDH1A1SMN1; SMN2
SCHEMBL8722080 0.80 MMP2 (0.55) MMP2MMP9MMP12ALDH1A1SMN1; SMN2
SCHEMBL11972668 0.79 GPR132 (0.55) ALDH1A1HDAC3GRM5ACACB

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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 US disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 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 (1 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-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 MMP2 827/4885MMP9 755/4885MMP12 1729/4885

“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.