SCHEMBL20043370

SCHEMBL20043370

CC1(S(=O)(=O)NC(=O)c2ccc3nc(Cl)sc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LCK P06239 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CHRNA7 P36544 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BLM P54132 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL20043362 0.79 LMNA (0.45) KMT2AMEN1LCKNPC1RAB9A
SCHEMBL1748004 0.78 SMN1; SMN2 (0.63) KMT2AMEN1LCKNPC1RAB9A
SCHEMBL21098321 0.78 LCK (0.44) KMT2AMEN1LCKNPC1RAB9A
SCHEMBL1033009 0.73 LMNA (0.64) KMT2ALCKNPC1RAB9ACHRNA7
SCHEMBL2000313 0.72 NPC1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1983363 0.72 PIK3CA (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL20049226 0.71 LMNA (0.46) LCKNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL1036069 0.71 KDM4E (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1095256 0.71 SMN1; SMN2 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1748094 0.70 POLB (0.55) KMT2AMEN1RAB9ASMN1; SMN2MAPT

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 10 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-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 WO disclosed
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 KMT2A 4512/4885MEN1 4358/4885LCK 3101/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 KMT2A 4512/4885MEN1 4358/4885LCK 3101/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 KMT2A 4541/4885MEN1 3954/4885LCK 2739/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 KMT2A 4512/4885MEN1 4358/4885LCK 3101/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 KMT2A 4541/4885MEN1 3954/4885LCK 2739/4885

“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.