SCHEMBL1315161

SCHEMBL1315161

CCCCCCCC#CC(=O)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP12 P39900 1/20 0.52
MGLL Q99685 2/20 0.46
GSK3B P49841 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
RAB9A P51151 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B3 P37058 1/20 0.40

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
SCHEMBL28408619 0.81 CES1 (0.50) MMP2MMP12FFAR1FFAR4
SCHEMBL24345107 0.81 MMP2 (0.47) MMP2MMP12FFAR1FFAR4HSD17B3
SCHEMBL25749243 0.81 MMP2 (0.47) MMP2MMP12FFAR1FFAR4ALDH1A1
SCHEMBL9241002 0.80 CES2 (0.49) MMP2MMP12FFAR1FFAR4ALDH1A1
SCHEMBL24345232 0.79 HDAC1 (0.47) MMP2MMP12GSK3BTSHRRAB9A
SCHEMBL9440264 0.78 HSD17B3 (0.65) MMP2MMP12MGLLGSK3BRAB9A
SCHEMBL31614581 0.78 ESR1 (0.49) MMP2MMP12TSHRRAB9ACA1
SCHEMBL17602717 0.76 VCP (0.47) MMP2MMP12GSK3BRAB9AALDH1A1
SCHEMBL12348503 0.76 FFAR1 (0.55) MMP2MMP12MGLLTSHRHSD17B10
SCHEMBL24345826 0.75 ALDH1A1 (0.50) MGLLGSK3BTSHRCA1CA2

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 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 (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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 MMP2 2261/4885MMP12 1275/4885MGLL 719/4885

“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.