SCHEMBL5069175

SCHEMBL5069175

COc1cc(C(=O)O)cc2sc(C)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA3 P07451 1/20 0.49
PKM P14618 1/20 0.49
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MAPT P10636 2/20 0.46
PTGS2 P35354 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
CNR2 P34972 1/20 0.45

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
SCHEMBL6000924 0.89 RAB9A (0.42) RAB9ANPC1SMN1; SMN2CA12CA1
SCHEMBL20094718 0.87 RAB9A (0.48) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL23195620 0.85 CA12 (0.49) RAB9ACA12CA1CA2CA4
SCHEMBL19899948 0.85 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL22672670 0.84 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL20554083 0.84 ALDH1A1 (0.51) CA12CA1CA2CA4CA6
SCHEMBL20554137 0.84 CYP3A4 (0.51) CA12CA1CA2CA4CA6
SCHEMBL22672569 0.81 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL23905466 0.81 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL25113847 0.81 CA12 (0.45) RAB9ANPC1SMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 US disclosed
WO-2021066922-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2021-04-08 WO disclosed
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 US disclosed
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP 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
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
EP-3034501-A1 Hydroxy containing FXR (NR1H4) modulating compounds Gilead Sciences, Inc. (US) 2016-06-22 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP 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 (4 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 71/4885SMN1; SMN2 4610/4885
US-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 RAB9A 473/4885NPC1 565/4885SMN1; SMN2 1095/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 RAB9A 473/4885NPC1 565/4885SMN1; SMN2 1095/4885
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 RAB9A 3134/4885NPC1 95/4885SMN1; SMN2 4830/4885

“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.