SCHEMBL14973288

SCHEMBL14973288

COc1ccc(OCc2c(-c3nc(-c4cccc(S(=O)(=O)O)c4)no3)cnn2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
FFAR1 O14842 1/20 0.41
HAVCR2 Q8TDQ0 3/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL14973218 0.94 CA2 (0.46) S1PR1CA2CA9FFAR1HAVCR2
SCHEMBL14973177 0.92 S1PR1 (0.42) S1PR1CA2CA9FFAR1HAVCR2
SCHEMBL14984859 0.91 CA9 (0.51) S1PR1CA2CA9MAPTLMNA
SCHEMBL14973289 0.90 STAT3 (0.41) S1PR1FFAR1MAPTNR1H4
SCHEMBL14973230 0.85 CA9 (0.55) S1PR1CA2CA9MAPTNPC1
SCHEMBL14972992 0.85 STAT3 (0.43) S1PR1FFAR1NR1H4NPC1RAB9A
SCHEMBL14973072 0.84 CA9 (0.49) S1PR1CA2CA9HAVCR2NPC1
SCHEMBL14972985 0.84 CA9 (0.46) S1PR1CA2CA9MAPTNPC1
SCHEMBL14973261 0.84 CA9 (0.56) S1PR1CA2CA9NPC1RAB9A
SCHEMBL14973033 0.83 CA4 (0.50) S1PR1CA2CA9NPC1RAB9A

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
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A S1PR1 2686/4885CA2 2244/4885CA9 4504/4885

“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.