SCHEMBL20043362

SCHEMBL20043362

O=C(NS(=O)(=O)C1CC1)c1ccc2nc(Cl)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
SCN9A Q15858 5/20 0.43
SCN2B O60939 1/20 0.43
SCN1A P35498 1/20 0.43
SCN1B Q07699 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LCK P06239 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LRRK2 Q5S007 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SCN5A Q14524 3/20 0.41
HSD17B10 Q99714 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
SCHEMBL1033009 0.80 LMNA (0.64) LMNACASP3SENP8SENP7SENP6
SCHEMBL20043370 0.79 KMT2A (0.43) SMN1; SMN2MEN1KMT2ALCKNPC1
SCHEMBL20049226 0.78 LMNA (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL1748004 0.77 SMN1; SMN2 (0.63) LMNASMN1; SMN2MEN1KMT2ALCK
SCHEMBL1036069 0.72 KDM4E (0.62) LMNASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1095256 0.72 SMN1; SMN2 (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL9305825 0.72 NPC1 (0.72) LMNASMN1; SMN2MEN1KMT2ALCK
SCHEMBL1748094 0.72 POLB (0.55) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL2055271 0.71 DYRK1A (0.58) LMNASMN1; SMN2KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7753018 0.71 KDM4E (0.60) LMNASMN1; SMN2MEN1KMT2ANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 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 (3 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 LMNA 3944/4885SCN9A 2999/4885SCN2B 2784/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 LMNA 3944/4885SCN9A 2999/4885SCN2B 2784/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 LMNA 3944/4885SCN9A 2999/4885SCN2B 2784/4885

“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.