SCHEMBL2990178

SCHEMBL2990178

CS(=O)(=O)NCc1cc(CC(=O)O)ccc1Oc1ccc(CC(=O)NCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
TSHR P16473 2/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
POLB P06746 2/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
ERCC1 P07992 2/20 0.45
ERCC4 Q92889 2/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL2989967 0.92 PPARA (0.47) NPC1CA2CA1CA12CA9
SCHEMBL2981215 0.91 EPHX2 (0.53) NPC1CA2CA1CA12CA9
SCHEMBL2993189 0.89 KDM4E (0.61) NPC1CA2TSHRPOLBKDM4E
SCHEMBL2975319 0.88 NR1H4 (0.50) NPC1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL2985034 0.83 SLC6A2 (0.48) NPC1POLBALDH1A1SLC6A2SLC6A4
SCHEMBL2986073 0.83 NPC1 (0.51) NPC1TSHRPOLBKDM4ERECQL
SCHEMBL2987825 0.81 NAMPT (0.47) NPC1TSHRPOLBKDM4ERECQL
SCHEMBL2979607 0.81 NPC1 (0.50) NPC1TSHRPOLBKDM4ERECQL
SCHEMBL2991852 0.78 PNLIP (0.51) ALDH1A1KMT2AMEN1
SCHEMBL2988699 0.78 NR1H4 (0.52) NPC1RAB9AKMT2AMEN1PTGDR2

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-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
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 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 (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 NPC1 3905/4885CA2 656/4885CA1 1950/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 NPC1 3905/4885CA2 656/4885CA1 1950/4885

“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.