SCHEMBL2989778

SCHEMBL2989778

O=C(O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CNC(=O)c2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.47
GRM4 Q14833 4/20 0.46
AURKB Q96GD4 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
TSHR P16473 1/20 0.43
HDAC1 Q13547 1/20 0.42
AXL P30530 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2990028 0.87 KDM4E (0.56) KDM4EPTGDR2HDAC1HDAC6SMN1; SMN2
SCHEMBL2988654 0.86 KDM4E (0.52) KDM4EPTGDR2TSHRHDAC1HDAC6
SCHEMBL2989737 0.85 KDM4E (0.60) KDM4EPTGDR2NR1H4TSHR
SCHEMBL2991646 0.85 KDM4E (0.60) KDM4EPTGDR2NR1H4NPC1PKM
SCHEMBL2988774 0.85 KDM4E (0.57) KDM4EPTGDR2HDAC1HDAC6SMN1; SMN2
SCHEMBL2994879 0.80 KDM4E (0.58) KDM4EPTGDR2NR1H4
SCHEMBL2982152 0.80 KDM4E (0.53) KDM4EPTGDR2HDAC6
SCHEMBL13742651 0.80 KDM4E (0.72) KDM4EPTGDR2NR1H4NPC1PKM
SCHEMBL2977839 0.79 MEN1 (0.55) KDM4EPTGDR2SMN1; SMN2
SCHEMBL14301343 0.79 KDM4E (0.50) KDM4EPTGDR2NPC1PKMRAB9A

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 14 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 claimed
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-08-09 US claimed
US-8492437-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-07-23 US disclosed
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-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-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 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
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 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 KDM4E 1078/4885PTGDR2 12/4885GRM4 282/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 KDM4E 1078/4885PTGDR2 12/4885GRM4 282/4885

“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.