SCHEMBL12373516

SCHEMBL12373516

CCn1c(C(C)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cnc1Oc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.37
NR3C1 P04150 1/20 0.36
GAA P10253 1/20 0.36
PLAU P00749 7/20 0.35
PLAT P00750 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
S1PR1 P21453 4/20 0.34
F10 P00742 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PLG P00747 3/20 0.33
F2 P00734 2/20 0.33
ST14 Q9Y5Y6 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
FABP3 P05413 1/20 0.33

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
SCHEMBL12373563 0.86 S1PR1 (0.35) S1PR1CNR1
SCHEMBL12373542 0.85 KDM4E (0.37) NR3C1S1PR1CNR1
SCHEMBL12373595 0.85 CNR1 (0.43) S1PR1CNR1
SCHEMBL12373515 0.84 S1PR1 (0.36) NR3C1S1PR1ALDH1A1
SCHEMBL12373517 0.84 S1PR1 (0.44) S1PR1ALDH1A1CNR1
SCHEMBL12373579 0.84 S1PR1 (0.40) NR3C1S1PR1
SCHEMBL12373648 0.83 S1PR1 (0.40) S1PR1CNR1
SCHEMBL12373488 0.83 S1PR1 (0.39) NR3C1S1PR1
SCHEMBL12373631 0.83 KAT6A (0.38) BTKS1PR1ALDH1A1
SCHEMBL12373686 0.82 S1PR1 (0.37) S1PR1ALDH1A1

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 BTK 2598/4885NR3C1 165/4885GAA 4428/4885

“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.