SCHEMBL2991888

SCHEMBL2991888

O=Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
GFER P55789 1/20 0.51
PTGDR2 Q9Y5Y4 11/20 0.51
PPARA Q07869 2/20 0.50
ALDH1A1 P00352 1/20 0.50
FABP2 P12104 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
MCHR1 Q99705 2/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL2990191 0.85 SMN1; SMN2 (0.50) GAANPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL2991855 0.84 GAA (0.54) GAANPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL2987661 0.84 PTGDR2 (0.64) GAAPTGDR2
SCHEMBL2979701 0.82 GAA (0.52) GAANPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL2982871 0.82 GAA (0.46) GAANPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL2982870 0.82 GAA (0.46) GAANPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL2982873 0.82 GAA (0.46) GAANPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL15055488 0.80 HSD17B10 (0.47) SMN1; SMN2CYP1A2CYP2D6MAPTCYP2C19
SCHEMBL2982709 0.76 PTGDR2 (0.60) GAANPC1SMN1; SMN2RAB9ACYP1A2
SCHEMBL2990197 0.75 TRPV1 (0.56) PTGDR2MCHR1

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 8 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
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 GAA 2523/4885NPC1 3905/4885SMN1; SMN2 3361/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 GAA 2523/4885NPC1 3905/4885SMN1; SMN2 3361/4885

“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.