SCHEMBL20031232

SCHEMBL20031232

Cc1nc2c(F)cc(C(=O)O)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
TPMT P51580 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HCAR1 Q9BXC0 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL7693296 0.81 TTR (0.43) RARARARBRARGTPMTALOX15
SCHEMBL20553901 0.81 TTR (0.38) TPMTALDH1A1HSD17B10ALOX15TSHR
SCHEMBL22672668 0.80 PTGES (0.40) RARARARBRARGTPMTALDH1A1
SCHEMBL22672501 0.80 GAA (0.42) ALDH1A1ALOX15TSHRHIF1ALMNA
SCHEMBL22672594 0.80 RAB9A (0.38) ALOX15TSHRHIF1ALMNAMAPK1
SCHEMBL26579752 0.78 CA12 (0.49) TPMTALDH1A1HSD17B10TSHRLMNA
SCHEMBL24663029 0.76 ESR2 (0.34) ALDH1A1HSD17B10TSHRSMN1; SMN2MEN1
SCHEMBL22672586 0.76 MAPT (0.38) RARBRARGTPMTALOX15TSHR
SCHEMBL24163771 0.75 ELANE (0.33) ALDH1A1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL26579803 0.73 KMT2A (0.40) KMT2ACA12CA1CA2CA3

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 RARA 591/4885RARB 623/4885RARG 775/4885

“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.