Sugi Predict

Sugi Predict / Compounds / SCHEMBL12360798

SCHEMBL12360798

SCHEMBL12360798

C[C@]12CC[C@H](OC(=O)OCCN3CCOCC3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 12/20 0.60
▸ ATP1B1 P05026 12/20 0.60
▸ ATP1A3 P13637 12/20 0.60
▸ ATP1B2 P14415 12/20 0.60
▸ ATP1A2 P50993 12/20 0.60
▸ ATP1B3 P54709 12/20 0.60
▸ FXYD2 P54710 12/20 0.60
▸ ATP1A4 Q13733 12/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ CYP3A5 P20815 2/20 0.60
▸ AR P10275 1/20 0.60
▸ ZFP91 Q96JP5 1/20 0.60
▸ CYP3A7 P24462 1/20 0.54
▸ STAT3 P40763 1/20 0.45
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ PAX8 Q06710 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ TSHR P16473 2/20 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
SCHEMBL30846896 1.00 ATP1A1 (0.60) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL2256162 0.94 ATP1A1 (0.61) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL2256169 0.94 ATP1A1 (0.61) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11893816 0.89 ATP1A1 (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12360802 0.89 ATP1A1 (0.63) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL256803 0.88 ATP1A1 (0.59) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL174232 0.88 ATP1A1 (0.59) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19415246 0.88 ATP1A1 (0.59) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15605720 0.88 ATP1A1 (0.60) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL20458647 0.88 ATP1A1 (0.60) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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
EP-4619106-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS Neupharma, Inc (US) 2025-09-24 — — EP claimed
WO-2024107753-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS NEUPHARMA, INC (US) 2024-05-23 — — WO claimed
EP-4619106-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS Neupharma, Inc (US) 2025-09-24 — — EP disclosed
WO-2024107753-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS NEUPHARMA, INC (US) 2024-05-23 — — WO disclosed
US-20210113593-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2021-04-22 — — US disclosed
EP-3296313-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO LTD (CN) 2020-12-16 — — EP disclosed
US-20200330486-A1 METHODS OF TREATING CANCER NEUPHARMA, INC. 2020-10-22 — — US disclosed
US-20180125866-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2018-05-10 — — US disclosed
EP-3296313-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Suzhou Neupharma Co., Ltd (CN) 2018-03-21 — — EP disclosed
US-9814735-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD (CN) 2017-11-14 — — US disclosed
US-9814735-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD (CN) 2017-11-14 — — US disclosed
US-8993550-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD. (CN) 2015-03-31 — — US disclosed
US-8993550-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD. (CN) 2015-03-31 — — US disclosed
US-20130123224-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2013-05-16 — — US disclosed
US-20130123224-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2013-05-16 — — US disclosed
US-8334376-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD. (CN) 2012-12-18 — — US disclosed
US-8334376-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD. (CN) 2012-12-18 — — US disclosed
US-20110201584-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2011-08-18 — — US disclosed
US-20110201584-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2011-08-18 — — US disclosed
WO-2011085641-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2011-07-21 — — 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-20210113593-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 ATP1A1 1503/4885ATP1B1 625/4885ATP1A3 2039/4885
US-20180125866-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 ATP1A1 1503/4885ATP1B1 625/4885ATP1A3 2039/4885
US-20130123224-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 ATP1A1 1503/4885ATP1B1 625/4885ATP1A3 2039/4885
US-20110201584-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 ATP1A1 1503/4885ATP1B1 625/4885ATP1A3 2039/4885
US-20200330486-A1 METHODS OF TREATING CANCER HIF1AN, BRCA1, TP53 ATP1A1 586/4885ATP1B1 593/4885ATP1A3 1439/4885

“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.