SCHEMBL4461002

SCHEMBL4461002

C#Cc1ccc(C2OCCCO2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21237810 0.85 CYP11B1 (0.63) CYP11B1CYP11B2
SCHEMBL28643620 0.80 CYP11B1 (0.62) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL6882198 0.79 CYP11B1 (0.41) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL21910589 0.75 CYP11B1 (0.39) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL1662324 0.75 KDM1A (0.50) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL13578617 0.75 CYP11B1 (0.39) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL92259 0.72 GABRP (0.38) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL18822948 0.71 CYP11B1 (0.48) CYP11B1CYP11B2
SCHEMBL6867644 0.71 MEN1 (0.43) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL20093956 0.70 CYP11B2 (0.47) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
WO-2009154780-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009154780-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO 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-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF S1PR1, S1PR5, S1PR2 CYP11B1 503/4885CYP11B2 678/4885MEN1 632/4885

“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.