SCHEMBL566129

SCHEMBL566129

CCCOc1ccc(C(=O)O)cc1I

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
CREBBP Q92793 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
PTPN11 Q06124 1/20 0.51
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
TTR P02766 1/20 0.48
PLA2G2D Q9UNK4 1/20 0.48
TP53 P04637 1/20 0.47
XDH P47989 1/20 0.47
F2 P00734 1/20 0.47
PLAU P00749 1/20 0.47
ST14 Q9Y5Y6 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
SCHEMBL25788111 0.91 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL25788104 0.91 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL25788109 0.91 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL25788106 0.91 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL4218374 0.89 TTR (0.59) CREBBPKMT2AALDH1A1HPGDPTPN11
SCHEMBL4948306 0.87 TSHR (0.66) THRATHRBCREBBPKMT2ATSHR
SCHEMBL566516 0.85 POLB (0.66) CREBBPKMT2AALDH1A1HPGDPTPN11
SCHEMBL565185 0.84 ESR1 (0.57) THRATHRBALDH1A1TSHRPOLB
SCHEMBL15662814 0.84 MGLL (0.57) THRATHRBCREBBPHPGDPOLB
SCHEMBL3337022 0.83 TTR (0.60) ALDH1A1HPGDPTPN11TSHRTTR

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US 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 (5 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 THRA 4623/4885THRB 4519/4885CREBBP 1718/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 THRA 2107/4885THRB 1324/4885CREBBP 1311/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 THRA 4634/4885THRB 4478/4885CREBBP 1515/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 THRA 4623/4885THRB 4519/4885CREBBP 1718/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 THRA 4623/4885THRB 4519/4885CREBBP 1718/4885

“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.