SCHEMBL14256459

SCHEMBL14256459

O=S1(=O)CCC(NCc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.51
▸ BCHE P06276 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ BACE1 P56817 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ JAK1 P23458 2/20 0.46
▸ GLA P06280 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL16269263 0.98 GRIN2B (0.50) GRIN2BBCHEACHEBACE1MEN1
SCHEMBL1701911 0.90 GRIN2B (0.59) GRIN2BBCHEACHEBACE1MEN1
SCHEMBL11817362 0.89 JAK1 (0.45) GRIN2BRAB9AKMT2AJAK1GLA
SCHEMBL16366457 0.83 JAK1 (0.47) MEN1KMT2AHSD17B10JAK1ALDH1A1
SCHEMBL25188602 0.83 HSD17B10 (0.52) GRIN2BBCHEACHEBACE1MEN1
SCHEMBL25007080 0.80 JAK1 (0.47) MEN1RAB9AKMT2AHSD17B10JAK1
SCHEMBL16268360 0.80 GRIN2B (0.51) GRIN2BBCHEACHEBACE1MEN1
SCHEMBL22302122 0.76 GRIN2B (0.47) GRIN2BBCHEACHEBACE1MEN1
SCHEMBL663239 0.76 GRIN2B (0.74) GRIN2BBCHEACHEBACE1MEN1
SCHEMBL11638440 0.75 KDM4E (0.59) MEN1RAB9AKMT2AGLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 — — US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 — — EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 — — US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 — — EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 — — WO disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 — — US disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 — — 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 (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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 GRIN2B 609/4885BCHE 4663/4885ACHE 4229/4885
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity HGF, MET, HDGF GRIN2B 4166/4885BCHE 2227/4885ACHE 3315/4885

“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.

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