SCHEMBL3974468

SCHEMBL3974468

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 2/20 0.70
GPR34 Q9UPC5 8/20 0.64
PPARG P37231 2/20 0.56
GPR132 Q9UNW8 2/20 0.56
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
FFAR1 O14842 1/20 0.52
CAPN1 P07384 1/20 0.52
PTPN1 P18031 1/20 0.52

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 0.90 KIFC1 (0.59) KIFC1GPR34PPARGFFAR1CAPN1
SCHEMBL3971467 0.90 KIFC1 (0.59) KIFC1GPR34PPARGFFAR1CAPN1
SCHEMBL5927401 0.87 KIFC1 (0.60) KIFC1GPR34PPARGGPR132MME
SCHEMBL1123243 0.85 GPR132 (0.72) GPR34PPARGGPR132MMEACE
SCHEMBL1122833 0.85 GPR132 (0.72) GPR34PPARGGPR132MMEACE
SCHEMBL5927205 0.85 GPR132 (0.72) GPR34PPARGGPR132MMEACE
SCHEMBL4092410 0.84 FFAR1 (0.53) KIFC1GPR34FFAR1
SCHEMBL6029880 0.83 GPR132 (0.73) GPR34PPARGGPR132PTPN1
SCHEMBL6029879 0.82 GPR34 (0.77) GPR34PPARGGPR132MMEACE
SCHEMBL5926994 0.82 KIFC1 (0.62) KIFC1GPR34GPR132

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
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP disclosed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO 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 4686/4885GPR34 955/4885PPARG 148/4885

“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.