SCHEMBL177580

SCHEMBL177580

COC(=O)CN(C)Cc1ccc(-c2ccc(CN(c3ccc(F)cc3)C(C)C)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
ACKR3 P25106 2/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RORC P51449 3/20 0.37
RAB9A P51151 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
NR1D1 P20393 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL177596 0.87 S1PR1 (0.53) S1PR1MEN1KMT2ARAB9ATP53
SCHEMBL177244 0.83 ACKR3 (0.44) S1PR1ACKR3RORCHSD17B1HSD17B2
SCHEMBL15511600 0.81 S1PR1 (0.46) S1PR1ACKR3MMP1MMP2MMP3
SCHEMBL17083310 0.77 PYCR1 (0.51) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL177064 0.76 S1PR1 (0.38) S1PR1ACKR3MMP1MMP2MMP3
SCHEMBL177055 0.75 S1PR1 (0.38) S1PR1ACKR3MMP1MMP2MMP3
SCHEMBL176960 0.75 TAAR1 (0.38) S1PR1MMP1MMP2MMP3MMP9
SCHEMBL177322 0.74 S1PR1 (0.59) S1PR1MEN1KMT2ARAB9ALMNA
SCHEMBL177100 0.70 S1PR1 (0.38) S1PR1RORCALDH1A1
SCHEMBL9998773 0.68 MEN1 (0.46) MEN1KMT2ARAB9ALMNAALDH1A1

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 1/4885ACKR3 66/4885MMP1 4113/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885ACKR3 66/4885MMP1 4113/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885ACKR3 126/4885MMP1 3834/4885

“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.