SCHEMBL2389181

SCHEMBL2389181

CCn1c(Oc2cccc(N)c2)nnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.64
S1PR3 Q99500 1/20 0.64
CNR1 P21554 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL12160977 0.92 S1PR1 (0.67) S1PR1S1PR3CNR1KMT2A
SCHEMBL12160794 0.92 S1PR1 (0.67) S1PR1S1PR3CNR1KMT2ACYP2D6
SCHEMBL12160782 0.91 S1PR1 (0.64) S1PR1S1PR3CNR1KMT2ACYP2D6
SCHEMBL12160795 0.91 S1PR1 (0.68) S1PR1S1PR3CNR1KMT2A
SCHEMBL12160812 0.90 S1PR1 (0.70) S1PR1S1PR3CNR1KMT2ACYP2D6
SCHEMBL12160904 0.90 S1PR1 (0.62) S1PR1S1PR3CNR1KMT2ACYP2D6
SCHEMBL2391526 0.90 S1PR1 (0.62) S1PR1S1PR3CNR1KMT2ACYP2D6
SCHEMBL12160842 0.89 S1PR1 (0.66) S1PR1S1PR3CNR1KMT2A
SCHEMBL12160992 0.89 S1PR1 (0.59) S1PR1S1PR3CNR1KMT2A
SCHEMBL12161006 0.89 S1PR1 (0.59) S1PR1S1PR3CNR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-1988083-A1 TRIAZOLE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2008-11-05 EP 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 (2 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-20110269960-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 S1PR1 2/4885S1PR3 1/4885CNR1 15/4885
US-20100041655-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 S1PR1 2/4885S1PR3 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.