SCHEMBL20178702

SCHEMBL20178702

CCN1Cc2ccc(C(=O)O)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.52
L3MBTL3 Q96JM7 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.45
KDM1A O60341 1/20 0.44
SRD5A2 P31213 4/20 0.44
SRD5A1 P18405 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HCAR3 P49019 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL20178641 0.87 ALDH1A1 (0.51) NAMPTALDH1A1POLBHDAC6HDAC8
SCHEMBL10120336 0.82 HDAC6 (0.62) NAMPTL3MBTL3L3MBTL1HDAC6HDAC8
SCHEMBL20178659 0.82 NAMPT (0.56) NAMPTL3MBTL3ALDH1A1SRD5A2SRD5A1
SCHEMBL19719191 0.81 L3MBTL3 (0.54) NAMPTL3MBTL3L3MBTL1HDAC6HDAC8
SCHEMBL3313453 0.80 ALDH1A1 (0.53) NAMPTALDH1A1POLBSRD5A2SRD5A1
SCHEMBL8122252 0.79 HDAC1 (0.55) KDM1ASRD5A2L3MBTL1HCAR3HDAC6
SCHEMBL3604547 0.79 ALDH1A1 (0.49) NAMPTALDH1A1HCAR3KMT2A
Hydrochloric Acid SCHEMBL7040966 0.78 HDAC1 (0.54) KDM1ASRD5A2L3MBTL1HCAR3HDAC6
Hydrochloric Acid SCHEMBL7041877 0.78 HDAC1 (0.54) KDM1ASRD5A2L3MBTL1HCAR3HDAC6
SCHEMBL7277193 0.77 NOTUM (0.58) NAMPTALDH1A1POLBSRD5A2SRD5A1

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 NAMPT 1633/4885L3MBTL3 4813/4885ALDH1A1 2185/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 NAMPT 1633/4885L3MBTL3 4813/4885ALDH1A1 2185/4885

“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.