SCHEMBL20173753

SCHEMBL20173753

Cc1cc(C(=O)O)c(-c2cccnc2)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
MKNK1 Q9BUB5 4/20 0.46
MKNK2 Q9HBH9 4/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
KMO O15229 2/20 0.44
GPR35 Q9HC97 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
DHODH Q02127 2/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL20173751 0.86 SLC2A1 (0.52) KDM4ELMNAMKNK1MKNK2CYP11B1
SCHEMBL20178608 0.83 MKNK1 (0.49) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL20173750 0.78 AKR1C3 (0.53) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL20118972 0.76 KDM4E (0.53) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL16277788 0.76 LMNA (0.56) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL20118977 0.76 NPC1 (0.53) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL23365596 0.75 KDM4E (0.52) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL18309184 0.73 CYP2A6 (0.50) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL10024253 0.73 MKNK1 (0.76) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL10024284 0.73 MKNK1 (0.62) KDM4ELMNAHTTMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 KDM4E 4005/4885LMNA 4211/4885HTT 3363/4885

“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.