Sugi Predict

Sugi Predict / Compounds / SCHEMBL932002

SCHEMBL932002

SCHEMBL932002

Cn1ccc2cccc(C(=O)O)c21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ DHODH Q02127 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CMA1 P23946 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ ALB P02768 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ FABP4 P15090 3/20 0.38

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
SCHEMBL30082300 1.00 NR4A1 (0.46) NR4A1NR4A2NR4A3DHODHHSD17B10
SCHEMBL30082247 0.84 PARP1 (0.44) HSD17B10CMA1ALDH1A1KDM4EHPGD
SCHEMBL9275405 0.84 PARP1 (0.44) HSD17B10CMA1ALDH1A1KDM4EHPGD
SCHEMBL9667563 0.83 POLB (0.46) CMA1ALDH1A1
SCHEMBL1093499 0.81 LMNA (0.44) NR4A2HSD17B10ALDH1A1ALOX15KDM4E
SCHEMBL19903069 0.81 CMA1 (0.38) HSD17B10CMA1ALDH1A1PTPN1KDM4E
SCHEMBL6030073 0.78 CMA1 (0.36) NR4A2CMA1KDM4E
SCHEMBL30368357 0.78 CMA1 (0.36) CMA1ALDH1A1KDM4E
SCHEMBL31056496 0.78 NR4A1 (0.46) NR4A1NR4A2NR4A3DHODHHSD17B10
SCHEMBL5189126 0.78 NR4A1 (0.46) NR4A1NR4A2NR4A3DHODHHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994223-A Aluminum oxide nanotube crystalline material and preparation method and application thereof 中国科学院福建物质结构研究所 2024-11-22 — — CN claimed
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 — — CN claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 — — US claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 — — US claimed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 — — WO claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 — — WO claimed
CN-118994223-A Aluminum oxide nanotube crystalline material and preparation method and application thereof 中国科学院福建物质结构研究所 2024-11-22 — — CN disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
US-20240270759-A1 Preparation of SHP2 phosphatase inhibitors and its applications YA THERAPEUTICS INC (CN) 2024-08-15 — — US disclosed
CN-115960109-B Preparation and application of condensed ring SHP2 phosphatase inhibitor 药雅科技(上海)有限公司 2024-06-25 — — CN disclosed
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 — — EP disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 — — EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 — — WO disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 — — CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 — — EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 — — CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 — — 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 (6 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR NR4A1 130/4885NR4A2 142/4885NR4A3 161/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NR4A1 125/4885NR4A2 182/4885NR4A3 215/4885
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 NR4A1 601/4885NR4A2 1440/4885NR4A3 1585/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 NR4A1 3610/4885NR4A2 2684/4885NR4A3 3103/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 NR4A1 3610/4885NR4A2 2684/4885NR4A3 3103/4885
US-20240270759-A1 Preparation of SHP2 phosphatase inhibitors and its applications PTPN2, PTPN22, PTPN5 NR4A1 3471/4885NR4A2 1993/4885NR4A3 3026/4885

“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.