SCHEMBL2225331

SCHEMBL2225331

CC1(C)CCC(C)(C)c2cc(-c3nc(C4CCNCC4)co3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.60
RARA P10276 10/20 0.38
RARB P10826 9/20 0.38
RARG P13631 8/20 0.38
RXRA P19793 3/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
PLAT P00750 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
NR1H4 Q96RI1 1/20 0.32

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
Hydrochloric Acid SCHEMBL12805584 0.99 USP7 (0.58) USP7RARARARBRARGRXRA
SCHEMBL2223769 0.78 TLR9 (0.45)
SCHEMBL2225199 0.78 USP7 (0.57) USP7RARARARBRARGRXRA
SCHEMBL12632665 0.78 RARB (0.55) USP7RARARARBRARGRXRA
SCHEMBL2224628 0.77 NR1H4 (0.42) USP7RARARARBRARGRXRA
SCHEMBL2226041 0.76 NR1H4 (0.41) USP7RARARARBRARGRXRA
SCHEMBL2225452 0.76 PLAT (0.40) USP7RARARARBRARGRXRA
SCHEMBL12937534 0.75 HTT (0.46) MEN1KMT2A
SCHEMBL2225630 0.75 ABCB1 (0.46) USP7RARARARBRARGRXRA
SCHEMBL1002490 0.75 USP7 (0.74) USP7PLAT

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-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 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-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 USP7 3223/4885RARA 4508/4885RARB 4278/4885

“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.