SCHEMBL2391017

SCHEMBL2391017

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.60
S1PR3 Q99500 1/20 0.60
CCR2 P41597 2/20 0.49
KMO O15229 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CNR1 P21554 1/20 0.39
KMT2A Q03164 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
SCHEMBL2388888 0.89 S1PR1 (0.56) S1PR1S1PR3CCR2HTTCNR1
SCHEMBL12160795 0.89 S1PR1 (0.68) S1PR1S1PR3CNR1KMT2A
SCHEMBL2391526 0.89 S1PR1 (0.62) S1PR1S1PR3HTTCNR1KMT2A
SCHEMBL12160977 0.88 S1PR1 (0.67) S1PR1S1PR3ALDH1A1HTTCNR1
SCHEMBL12160794 0.88 S1PR1 (0.67) S1PR1S1PR3CNR1KMT2A
SCHEMBL2389181 0.88 S1PR1 (0.64) S1PR1S1PR3CNR1KMT2A
SCHEMBL12160782 0.88 S1PR1 (0.64) S1PR1S1PR3CNR1KMT2A
SCHEMBL12160842 0.87 S1PR1 (0.66) S1PR1S1PR3HTTCNR1KMT2A
SCHEMBL12161015 0.87 S1PR1 (0.59) S1PR1S1PR3ALDH1A1KMT2A
SCHEMBL12160812 0.87 S1PR1 (0.70) S1PR1S1PR3HTTCNR1KMT2A

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 1/4885CCR2 138/4885
US-20100041655-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 S1PR1 2/4885S1PR3 1/4885CCR2 149/4885

“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.