SCHEMBL20118977

SCHEMBL20118977

Cc1ccc(C(=O)O)c(-c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
CYP2A6 P11509 2/20 0.51
MKNK1 Q9BUB5 3/20 0.51
MKNK2 Q9HBH9 3/20 0.51
HDAC7 Q8WUI4 1/20 0.51
KMO O15229 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
DHODH Q02127 3/20 0.49
CYP3A4 P08684 2/20 0.49
BTK Q06187 1/20 0.48
GPR35 Q9HC97 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL16277788 0.88 LMNA (0.56) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL20118979 0.84 CYP46A1 (0.56) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL3229733 0.83 HDAC7 (0.70) KDM4EHDAC7ALDH1A1HSD17B10
SCHEMBL3517388 0.83 KMO (0.64) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL31209946 0.83 KMO (0.64) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL20173750 0.81 AKR1C3 (0.53) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL20178622 0.81 KMO (0.47) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL31241243 0.80 HDAC7 (0.57) KDM4EHDAC7KMODHODHALDH1A1
SCHEMBL3424504 0.80 CYP2A6 (0.56) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL25871383 0.80 CYP2A6 (0.56) NPC1TP53RAB9ASMN1; SMN2MAPT

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-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
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 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 (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 NPC1 89/4885TP53 4394/4885RAB9A 2852/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 NPC1 89/4885TP53 4394/4885RAB9A 2852/4885

“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.