Sugi Predict

Sugi Predict / Compounds / SCHEMBL312334

SCHEMBL312334

SCHEMBL312334

CC(Br)C(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.57
▸ CES1 P23141 2/20 0.57
▸ CHRNB2 P17787 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ CHRNA4 P43681 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ PARP1 P09874 1/20 0.53
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ CYP1A2 P05177 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PLA2G7 Q13093 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL3362925 0.85 CES2 (0.61) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL8015553 0.85 CES2 (0.61) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL5883596 0.83 CES2 (0.59) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL2599161 0.83 CES2 (0.64) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL15007480 0.83 CES2 (0.64) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL311119 0.81 PARP1 (0.58) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL28075891 0.81 CES2 (0.57) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL28644077 0.81 CES2 (0.53) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL770101 0.80 SLC6A3 (0.55) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL30310283 0.79 CHRNA1 (0.58) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600704-B2 Substituted 1,2,4-triazoles and methods of use STINGINN LLC (US) 2026-04-14 — — US disclosed
US-20250163005-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STINGINN LLC (US) 2025-05-22 — — US disclosed
US-12134605-B2 Substituted 1,2,4-triazoles and methods of use STINGINN, LLC (US) 2024-11-05 — — US disclosed
US-20240262796-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STINGINN LLC (US) 2024-08-08 — — US disclosed
US-20210188786-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STINGINN LLC (US) 2021-06-24 — — US disclosed
US-20210188786-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STINGINN LLC (US) 2021-06-24 — — US disclosed
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 — — US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 — — US disclosed
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 — — EP disclosed
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 — — EP disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 — — WO disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 — — WO disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 — — WO disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 — — US disclosed
EP-0583271-B1 ARYLMORPHOLINE, PREPARATION AND USE WELLCOME FOUND (GB) 1998-11-11 — — EP disclosed
US-5760224-A ANTIDEPRESSANTS FOR TREATING PSYCHOLOGICAL DISORDERS GLAXO WELLCOME INC. (US) 1998-06-02 — — US disclosed
US-5648347-A ANTIDEPRESSANTS GLAXO WELLCOME INC. (US) 1997-07-15 — — US disclosed
EP-0583271-A1 ARYLMORPHOLINE, PREPARATION AND USE THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-23 — — EP disclosed
WO-1992018489-A1 ARYLMORPHOLINE, PREPARATION AND USE THE WELLCOME FOUNDATION LIMITED (GB) 1992-10-29 — — WO disclosed
US-4690931-A IN TREATMENT OF ANOXIA OR BRAIN DAMAGE SYNTHELABO (FR) 1987-09-01 — — US 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 (8 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-20210188786-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STING1, IRF3, CGAS CES2 2385/4885CES1 2359/4885CHRNB2 3526/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 CES2 100/4885CES1 577/4885CHRNB2 189/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 CES2 100/4885CES1 577/4885CHRNB2 189/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CES2 3644/4885CES1 3010/4885CHRNB2 4143/4885
US-12134605-B2 Substituted 1,2,4-triazoles and methods of use STING1, IRF3, CGAS CES2 2385/4885CES1 2359/4885CHRNB2 3526/4885
US-12600704-B2 Substituted 1,2,4-triazoles and methods of use STING1, IRF3, MAVS CES2 2716/4885CES1 1803/4885CHRNB2 2410/4885
US-20250163005-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STING1, IRF3, CGAS CES2 2385/4885CES1 2359/4885CHRNB2 3526/4885
US-20240262796-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STING1, IRF3, CGAS CES2 2385/4885CES1 2359/4885CHRNB2 3526/4885

“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.