SCHEMBL177100

SCHEMBL177100

CC(C)N(Cc1ccc(-c2ccc(CNC3COC(C)(C)OC3)cc2)s1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RORC P51449 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL177074 0.79 ALDH1A1 (0.36) S1PR1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL177064 0.77 S1PR1 (0.38) S1PR1ALDH1A1RORCTAAR1CCNE2
SCHEMBL177055 0.73 S1PR1 (0.38) S1PR1RORCTAAR1
SCHEMBL177244 0.72 ACKR3 (0.44) S1PR1RORCTAAR1
SCHEMBL176960 0.72 TAAR1 (0.38) S1PR1SMN1; SMN2ALDH1A1RORCTAAR1
SCHEMBL15511600 0.71 S1PR1 (0.46) S1PR1ALDH1A1RORCTAAR1
SCHEMBL177580 0.70 S1PR1 (0.42) S1PR1ALDH1A1RORC
SCHEMBL4415545 0.60 PRKCI (0.65) SMN1; SMN2ALDH1A1
SCHEMBL30802470 0.58 BCHE (0.48) ALDH1A1NPSR1
SCHEMBL177212 0.58 S1PR1 (0.49) S1PR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 S1PR1 1/4885SMN1; SMN2 3064/4885ALDH1A1 3172/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885SMN1; SMN2 3064/4885ALDH1A1 3172/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885SMN1; SMN2 2073/4885ALDH1A1 3392/4885

“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.