SCHEMBL14752128

SCHEMBL14752128

CCOC(=O)C(Br)C(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.44
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL954293 0.88 TDP1 (0.47) ALDH1A1TSHRMAPTCYP3A4CYP2C9
SCHEMBL19560252 0.87 KMT2A (0.46) TP53TSHRMAPTLMNAGAA
SCHEMBL14740250 0.86 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1TSHRMAPT
SCHEMBL29488737 0.85 LMNA (0.53) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL29488735 0.85 LMNA (0.53) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL930838 0.85 LMNA (0.53) ALDH1A1TSHRMAPTLMNAGAA
Bromide SCHEMBL930843 0.83 LMNA (0.52) ALDH1A1TSHRMAPTLMNAGAA
SCHEMBL17282273 0.82 ALDH1A1 (0.42) CYP4F2CYP4A11TAS1R3TAS1R1ALDH1A1
SCHEMBL14740031 0.82 TSHR (0.47) CYP4F2CYP4A11ALDH1A1TP53TSHR
SCHEMBL8193467 0.78 SMN1; SMN2 (0.50) ALDH1A1TSHRMAPTLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 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 (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-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR3 CYP4F2 1257/4885CYP4A11 457/4885TAS1R3 760/4885

“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.