SCHEMBL20178622

SCHEMBL20178622

CCc1ccc(C(=O)O)c(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MKNK1 Q9BUB5 6/20 0.45
MKNK2 Q9HBH9 6/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
DHODH Q02127 1/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL20178609 0.86 CFTR (0.52) KDM4EMKNK1MKNK2ALDH1A1NPC1
SCHEMBL10909137 0.85 PTPN1 (0.53) LMNAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL20118977 0.81 NPC1 (0.53) KMOKDM4ELMNAHTTMKNK1
SCHEMBL20594609 0.80 RAB9A (0.54) ALDH1A1XDHSLC22A12RAB9ASMN1; SMN2
SCHEMBL5992324 0.79 MAPT (0.52) MKNK1MKNK2ALDH1A1NPC1RAB9A
SCHEMBL31209946 0.79 KMO (0.64) KMOKDM4ELMNAHTTMKNK1
SCHEMBL3517388 0.79 KMO (0.64) KMOKDM4ELMNAHTTMKNK1
SCHEMBL6777255 0.78 KMT2A (0.48) LMNAHTTALDH1A1L3MBTL1RAB9A
SCHEMBL20173750 0.77 AKR1C3 (0.53) KMOKDM4ELMNAHTTMKNK1
SCHEMBL6776545 0.77 FNTA (0.52) RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
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 (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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 KMO 1651/4885KDM4E 4005/4885LMNA 4211/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KMO 1651/4885KDM4E 4005/4885LMNA 4211/4885

“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.