SCHEMBL177193

SCHEMBL177193

CCCOc1ccc(C(=O)O)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
PTPN11 Q06124 2/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
CREBBP Q92793 1/20 0.51
TSHR P16473 2/20 0.50
F2 P00734 1/20 0.50
PLAU P00749 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
PLA2G2D Q9UNK4 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL11364819 0.92 THRA (0.66) THRATHRBPTPN11KMT2AALDH1A1
SCHEMBL11436573 0.91 THRA (0.68) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL26926728 0.91 THRA (0.68) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL9638859 0.91 THRA (0.68) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL9622873 0.90 F2 (0.56) THRATHRBPTPN11KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11422681 0.89 THRA (0.67) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL8773610 0.87 KMT2A (0.54) PTPN11KMT2AALDH1A1HPGDCREBBP
SCHEMBL4506502 0.87 TSHR (0.66) KMT2AALDH1A1CREBBPTSHRPOLB
SCHEMBL15067519 0.85 F2 (0.51) THRATHRBPTPN11KMT2AALDH1A1
SCHEMBL15906548 0.85 HPGD (0.67) THRATHRBKMT2AALDH1A1HPGD

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 16 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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO 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-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
CN-102186845-A S1p receptors modulators and their use thereof AKAAL PHARMA PTY LTD 2011-09-14 CN disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS 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
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 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 (4 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 THRA 1275/4885THRB 949/4885PTPN11 1048/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 THRA 2107/4885THRB 1324/4885PTPN11 1540/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 THRA 1275/4885THRB 949/4885PTPN11 1048/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 THRA 983/4885THRB 737/4885PTPN11 1267/4885

“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.