SCHEMBL2979319

SCHEMBL2979319

CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(C(=O)O)cc2)c(CNS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PTGER4 P35408 2/20 0.39
PTGER2 P43116 1/20 0.39
TSHR P16473 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
FABP4 P15090 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SRD5A2 P31213 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
LPAR1 Q92633 2/20 0.35

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
SCHEMBL2991813 0.91 SLC6A4 (0.48) KMT2ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL5132540 0.91 PTGER4 (0.39) KMT2ASLC6A4SLC6A2SLC6A3PTGER4
SCHEMBL5132543 0.84 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL2975710 0.83 LMNA (0.46) KMT2ASLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL5128413 0.82 MTNR1A (0.39) KMT2ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL5128416 0.77 SLC6A4 (0.43) KMT2ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL2990233 0.76 LPAR1 (0.49) PTGER4PTGER2MTNR1AMTNR1BPTGDR2
SCHEMBL5126359 0.75 PPARA (0.47) NPC1RAB9ASMN1; SMN2PTGDR2PPARG
SCHEMBL2987825 0.75 NAMPT (0.47) KMT2ASLC6A4SLC6A2SLC6A3TSHR
SCHEMBL2993189 0.75 KDM4E (0.61) TSHRKDM4EPOLBRECQLNPC1

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
US-8492437-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-07-23 US disclosed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP disclosed
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-08-09 US disclosed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 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 (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-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 KMT2A 505/4885SLC6A4 1000/4885SLC6A2 837/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 KMT2A 505/4885SLC6A4 1000/4885SLC6A2 837/4885

“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.