SCHEMBL3971467

SCHEMBL3971467

COC(=O)[C@H](Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1)NC(=O)c1ccccc1OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 2/20 0.59
PPARG P37231 1/20 0.57
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
GPR34 Q9UPC5 2/20 0.53
LTA4H P09960 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
ERAP2 Q6P179 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
YAP1 P46937 2/20 0.49
CDK2 P24941 1/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
CAPN1 P07384 1/20 0.49
TSHR P16473 1/20 0.49
FFAR1 O14842 1/20 0.49

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
SCHEMBL3973755 1.00 KIFC1 (0.59) KIFC1PPARGGAARAB9AGPR34
SCHEMBL3974468 0.90 KIFC1 (0.70) KIFC1PPARGGPR34CAPN1FFAR1
SCHEMBL5927404 0.87 ABCG2 (0.59) KIFC1PPARGGAARAB9AGPR34
SCHEMBL1122834 0.86 GAA (0.75) PPARGGAARAB9AGPR34LTA4H
SCHEMBL6030161 0.84 GAA (0.77) PPARGGAARAB9AGPR34LTA4H
SCHEMBL4827793 0.82 ABCG2 (0.62) KIFC1ABCG2HDAC1HDAC6
SCHEMBL4827796 0.82 ABCG2 (0.62) KIFC1ABCG2HDAC1HDAC6
SCHEMBL5926212 0.82 ABCG2 (0.62) KIFC1ABCG2CDK2HDAC1HDAC6
SCHEMBL1123055 0.82 GAA (0.80) PPARGGAARAB9ALTA4HERAP2
SCHEMBL6662616 0.82 PPARG (0.60) PPARGGAARAB9AGPR34LTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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 (1 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 KIFC1 4686/4885PPARG 148/4885GAA 239/4885

“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.