SCHEMBL12373552

SCHEMBL12373552

CCn1c(C(C)NS(=O)(=O)c2cccc(OC)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.44
S1PR1 P21453 4/20 0.43
CNR1 P21554 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TRIM24 O15164 1/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
S1PR3 Q99500 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
ALPL P05186 1/20 0.38
HTR6 P50406 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL12373523 0.92 KMT2A (0.40) S1PR1CNR1ALDH1A1PKMS1PR3
SCHEMBL12373651 0.92 KDM2B (0.40) PGRS1PR1S1PR3
SCHEMBL12373463 0.90 MMP13 (0.41) S1PR1CNR1ALDH1A1
SCHEMBL12373593 0.90 S1PR1 (0.46) PGRS1PR1ALDH1A1PKMS1PR3
SCHEMBL12373469 0.90 PGR (0.41) PGRS1PR1CNR1S1PR3MAPT
SCHEMBL12373634 0.90 PGR (0.41) PGRS1PR1S1PR3
SCHEMBL4119410 0.89 CNR1 (0.47) S1PR1CNR1ALDH1A1TRIM24BRPF1
SCHEMBL12373577 0.88 FFAR1 (0.47) S1PR1ALDH1A1MAPT
SCHEMBL12373517 0.88 S1PR1 (0.44) S1PR1CNR1ALDH1A1TSHRS1PR3
SCHEMBL12373743 0.87 SMN1; SMN2 (0.41) S1PR1ALDH1A1PKMS1PR3

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 PGR 1817/4885S1PR1 1/4885CNR1 17/4885

“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.