SCHEMBL2571973

SCHEMBL2571973

COc1ccc2nc(SCC(=O)O)[nH]c2c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CSNK2A2 P19784 2/20 0.43
▸ CSNK2A1 P68400 2/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ENPP1 P22413 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PRMT5 O14744 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ WDR77 Q9BQA1 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2E1 P05181 1/20 0.40

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
SCHEMBL19604833 0.89 KMT2A (0.45) KMT2ARAB9AHSD17B10FPR2MPO
SCHEMBL2592561 0.86 CSNK2A2 (0.51) KMT2AHSD17B10CSNK2A2CSNK2A1CSNK2B
SCHEMBL30406117 0.86 CSNK2A2 (0.51) KMT2AHSD17B10CSNK2A2CSNK2A1CSNK2B
SCHEMBL14916139 0.83 KMT2A (0.50) KMT2ARAB9AHSD17B10CSNK2A2CSNK2A1
SCHEMBL22840417 0.77 CSNK2A2 (0.48) KMT2ARAB9ACSNK2A2CSNK2A1CSNK2B
SCHEMBL2568967 0.68 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1LMNAGCGR
SCHEMBL2570516 0.67 ALDH1A1 (0.41) KMT2ARAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL14930174 0.65 ERN1 (0.51) KMT2ARAB9ANPC1ALDH1A1LMNA
SCHEMBL14907806 0.65 GRK6 (0.42) KMT2ARAB9ANPC1ALDH1A1TDP1
SCHEMBL6329216 0.65 TLR2 (0.53) RAB9ANPC1ALDH1A1LMNACYP1A2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172051-B IRE-1 alpha inhibitors 复星弘创(苏州)医药科技有限公司 2023-03-07 — — CN disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — US disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
EP-2555768-A2 IRE-1 INHIBITORS MannKind Corporation (US) 2013-02-13 — — EP disclosed
WO-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 — — 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 (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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KMT2A 4481/4885RAB9A 1146/4885HSD17B10 2046/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KMT2A 4345/4885RAB9A 1149/4885HSD17B10 2082/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KMT2A 4481/4885RAB9A 1146/4885HSD17B10 2046/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KMT2A 4345/4885RAB9A 1149/4885HSD17B10 2082/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KMT2A 4509/4885RAB9A 1093/4885HSD17B10 2092/4885

“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.

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