Sugi Predict

Sugi Predict / Compounds / SCHEMBL20115731

SCHEMBL20115731

SCHEMBL20115731

CCOC(=O)C=C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.48
▸ EPHX1 P07099 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ DRD2 P14416 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CTSK P43235 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ KCNA3 P22001 1/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36

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
SCHEMBL15688927 0.94 ESR2 (0.44) ESR2EPHX1BTKDRD2KMT2A
SCHEMBL15715158 0.94 ESR2 (0.44) ESR2EPHX1BTKDRD2KMT2A
SCHEMBL15688929 0.94 ESR2 (0.44) ESR2EPHX1BTKDRD2KMT2A
SCHEMBL15285432 0.88 NFKB1 (0.41) ESR2EPHX1BTKKMT2AALDH1A1
SCHEMBL27872188 0.86 KDM1A (0.45) EPHX1BTKDRD2KMT2AKDM1A
SCHEMBL15779304 0.83 ESR2 (0.47) ESR2DRD2KMT2AALDH1A1MEN1
SCHEMBL12545681 0.82 ESR2 (0.53) ESR2KMT2AALDH1A1MEN1TSHR
SCHEMBL22942009 0.82 BTK (0.46) EPHX1BTKDRD2KMT2AKDM1A
SCHEMBL28310040 0.82 BTK (0.49) EPHX1BTKDRD2KMT2AKDM1A
SCHEMBL15367365 0.82 ALDH1A1 (0.40) ESR2EPHX1BTKDRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271387-A1 NOVEL STEROID PAYLOADS, STEROID LINKERS, ADCS CONTAINING AND USE THEREOF Immunext, Inc. (US) 2023-11-08 — — EP disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
CN-110088093-B Acyl sulfonamide nav1.7 inhibitors 百时美施贵宝公司 2023-06-13 — — CN disclosed
WO-2022150637-A1 NOVEL STEROID PAYLOADS, STEROID LINKERS, ADCs CONTAINING AND USE THEREOF IMMUNEXT, INC. (US) 2022-07-14 — — WO disclosed
WO-2022150637-A1 NOVEL STEROID PAYLOADS, STEROID LINKERS, ADCs CONTAINING AND USE THEREOF IMMUNEXT, INC. (US) 2022-07-14 — — WO disclosed
US-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2022-05-31 — — US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — WO disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 — — EP disclosed
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-01-14 — — US disclosed
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2020-12-22 — — US disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 — — US disclosed
CN-111925304-A Compound for preparing kalilazine and preparation method thereof 江苏恩华药业股份有限公司 2020-11-13 — — CN disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 — — US disclosed
CN-110088093-A Acyl sulfonamides NaV1.7 inhibitor 百时美施贵宝公司 2019-08-02 — — CN disclosed
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2019-05-30 — — US disclosed
WO-2018081384-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 — — 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 (7 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-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 ESR2 745/4885EPHX1 4291/4885BTK 2007/4885
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 ESR2 745/4885EPHX1 4291/4885BTK 2007/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ESR2 3695/4885EPHX1 3913/4885BTK 4182/4885
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A ESR2 4365/4885EPHX1 3847/4885BTK 2000/4885
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 ESR2 745/4885EPHX1 4291/4885BTK 2007/4885
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS SCN7A, SCN1A, SCN8A ESR2 4365/4885EPHX1 3847/4885BTK 2000/4885
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 ESR2 745/4885EPHX1 4291/4885BTK 2007/4885

“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.