SCHEMBL12373536

SCHEMBL12373536

CCn1c(C(C)NS(=O)(=O)c2c(C)nn(C)c2C)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
FPR2 P25090 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.36
GLA P06280 1/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC8A1 P32418 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL12373531 0.91 FPR2 (0.40) FPR2PROKR1ALDH1A1LMNASMN1; SMN2
SCHEMBL12373563 0.87 S1PR1 (0.35)
SCHEMBL12373515 0.85 S1PR1 (0.36) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12373517 0.85 S1PR1 (0.44) TSHRALDH1A1
SCHEMBL12373542 0.84 KDM4E (0.37) L3MBTL1POLB
SCHEMBL12373532 0.84 NR3C1 (0.45) TSHRALDH1A1LMNAMAPT
SCHEMBL12373713 0.84 S1PR1 (0.34) SLC8A1
SCHEMBL12373631 0.83 KAT6A (0.38) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12373488 0.83 S1PR1 (0.39) LMNA
SCHEMBL12373463 0.83 MMP13 (0.41) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 TSHR 861/4885FPR2 273/4885PROKR1 916/4885

“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.