SCHEMBL20178617

SCHEMBL20178617

CCCCCCC(CCCCC)c1ccc(C(=O)O)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
P4HTM Q9NXG6 5/20 0.46
P4HA1 P13674 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
SCHEMBL6717442 0.91 KDM4E (0.54) KDM4EALDH1A1L3MBTL1TSHRMEN1
SCHEMBL27308949 0.81 TAS1R3 (0.39) KDM4EALDH1A1L3MBTL1TSHRMEN1
SCHEMBL10095109 0.81 P4HTM (0.53) KDM4EALDH1A1L3MBTL1TSHRMEN1
SCHEMBL21100746 0.80 GPR84 (0.41) ALDH1A1TSHRMAPTRARBPLA2G2A
SCHEMBL25790403 0.80 NR1I2 (0.45) KDM4EALDH1A1L3MBTL1TSHRMEN1
SCHEMBL621935 0.77 KDM4E (0.50) KDM4EALDH1A1L3MBTL1TSHRMEN1
SCHEMBL10956897 0.76 TP53 (0.54) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL10960609 0.76 TP53 (0.54) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL10955282 0.76 TP53 (0.54) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL10957775 0.76 TP53 (0.54) ALDH1A1TSHRMEN1MAPTKMT2A

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 KDM4E 4005/4885ALDH1A1 2185/4885L3MBTL1 4819/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KDM4E 4005/4885ALDH1A1 2185/4885L3MBTL1 4819/4885

“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.