SCHEMBL1877237

SCHEMBL1877237

COc1cccc(Oc2ccc(C(=O)N[C@@H](C)C#N)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.55
MTNR1B P49286 5/20 0.53
ACACB O00763 1/20 0.52
MTNR1A P48039 2/20 0.50
MMP13 P45452 1/20 0.48
AR P10275 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
PRKG1 Q13976 2/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL1877240 1.00 PGR (0.55) PGRMTNR1BACACBMTNR1AMMP13
SCHEMBL1876558 0.87 MMP2 (0.52) PGRACACBALDH1A1SMN1; SMN2LMNA
SCHEMBL1876560 0.87 MMP2 (0.52) PGRACACBALDH1A1SMN1; SMN2LMNA
SCHEMBL1878949 0.83 GPR132 (0.53) ACACBALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL1878947 0.83 GPR132 (0.53) ACACBALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL12638368 0.80 PGR (0.55) PGRMTNR1BACACBMTNR1AMMP13
SCHEMBL12672236 0.79 PGR (0.54) PGRMTNR1BACACBMTNR1AMMP13
SCHEMBL13569634 0.79 PGR (0.54) PGRMTNR1BACACBMTNR1AMMP13
SCHEMBL12672051 0.79 PGR (0.54) PGRMTNR1BACACBMTNR1AMMP13
SCHEMBL16378706 0.75 MTNR1B (0.62) PGRMTNR1BMTNR1ASMN1; SMN2KMT2A

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 PGR 3869/4885MTNR1B 3695/4885ACACB 901/4885

“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.