SCHEMBL2412930

SCHEMBL2412930

Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
MCHR1 Q99705 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAF1 P04049 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 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
SCHEMBL6038646 0.85 CA1 (0.35) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL2412766 0.84 POLB (0.42) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL16756022 0.81 ALDH1A1 (0.57) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL17557183 0.78 GLA (0.44) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6117229 0.77 RAB9A (0.61) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL1663454 0.77 SMN1; SMN2 (0.48) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL23036593 0.74 TDP1 (0.42) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL1663328 0.73 PDK1 (0.39) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL21295538 0.73 RAF1 (0.58) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL16756018 0.73 MAPT (0.56) MEN1KMT2ARAB9ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542554-B1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARM INC (US) 2015-11-04 EP disclosed
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-9085581-B2 Processes for the preparation of S1P1 receptor modulators and crystalline forms thereof ARENA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
EP-2542554-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF Arena Pharmaceuticals, Inc. (US) 2013-01-09 EP disclosed
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 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 (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-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 MEN1 2072/4885KMT2A 4147/4885RAB9A 2135/4885
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 MEN1 2159/4885KMT2A 4146/4885RAB9A 2139/4885

“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.