SCHEMBL20031235

SCHEMBL20031235

CCc1nc2c(F)cc(C(=O)O)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 5/20 0.41
GAA P10253 4/20 0.41
MAPK1 P28482 1/20 0.41
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
DAO P14920 1/20 0.35
NR1H4 Q96RI1 3/20 0.35

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
SCHEMBL19900506 0.84 RARB (0.44) MEN1KMT2AALDH1A1MAPT
SCHEMBL22672597 0.82 NPC1 (0.38) RAB9ANPC1GAAMAPK1AKR1B1
SCHEMBL17851275 0.80 NPC1 (0.51) RAB9ANPC1GAALMNAMEN1
SCHEMBL25113847 0.80 CA12 (0.45) RAB9ANPC1GAAMAPK1MEN1
SCHEMBL22672599 0.80 TOP2A (0.39) RAB9ANPC1GAAMAPK1
SCHEMBL22672677 0.79 TOP2A (0.38) RAB9ANPC1GAAMAPK1NR1H4
SCHEMBL22395360 0.78 GAA (0.43) RAB9ANPC1GAALMNAMEN1
SCHEMBL22672608 0.78 NR1H4 (0.38) RAB9ANPC1GAAMAPK1SMN1; SMN2
SCHEMBL13824621 0.78 RAB9A (0.51) RAB9ANPC1GAAMAPK1AKR1A1
SCHEMBL20031347 0.77 LMNA (0.39) RAB9ANPC1GAALMNAMEN1

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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 US disclosed
WO-2018059314-A1 AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 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 (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-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 RAB9A 1920/4885NPC1 71/4885GAA 835/4885

“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.