Sugi Predict

Sugi Predict / Compounds / SCHEMBL2115708

SCHEMBL2115708

SCHEMBL2115708

COc1ccc(CCS(N)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.62
▸ CA2 P00918 7/20 0.62
▸ CA9 Q16790 7/20 0.62
▸ CA12 O43570 5/20 0.62
▸ CA5A P35218 1/20 0.62
▸ CA14 Q9ULX7 1/20 0.62
▸ RECQL P46063 1/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.57
▸ CA4 P22748 2/20 0.53
▸ MAOB P27338 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ MMP12 P39900 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ AOC3 Q16853 1/20 0.50
▸ F2RL1 P55085 1/20 0.49
▸ APLNR P35414 1/20 0.49
▸ POLB P06746 1/20 0.47

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
Hydrochloric Acid SCHEMBL20551658 0.98 RECQL (0.61) CA1CA2CA9CA12CA5A
SCHEMBL2093098 0.89 CA1 (0.58) CA1CA2CA9CA12CA5A
SCHEMBL21328231 0.87 CA1 (0.57) CA1CA2CA9CA12CA5A
SCHEMBL22230546 0.86 CA1 (0.55) CA1CA2CA9CA12CA5A
SCHEMBL28738754 0.86 CA1 (0.55) CA1CA2CA9CA12CA5A
SCHEMBL10538495 0.85 CA1 (0.58) CA1CA2CA9CA12CA5A
SCHEMBL4028531 0.84 CA12 (0.56) CA1CA2CA9CA12CA5A
SCHEMBL17225939 0.82 PTGS2 (0.72) CA1CA2CA9CA12CA5A
SCHEMBL27825449 0.81 CA12 (0.58) CA1CA2CA9CA12CA5A
SCHEMBL31540563 0.81 CA12 (0.53) CA1CA2CA9CA12CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 — — CN claimed
EP-4444300-A2 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 — — EP disclosed
EP-4038064-B1 N-SUBSTUTUTED-6-OXO-1,6-DIHYDROPYRIMIDINE-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2024-02-21 — — EP disclosed
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 — — CN disclosed
EP-3870575-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-03-29 — — EP disclosed
EP-4114834-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2023-01-11 — — EP disclosed
US-20220409619-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-12-29 — — US disclosed
EP-4038068-A1 N-SUBSTITUTED-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-10 — — EP disclosed
EP-4010314-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2022-06-15 — — EP disclosed
CN-111491932-A 6- (morpholin-4-yl) -pyridin-2-yl-1H-pyrrolo [3,2-B ] pyridine derivatives as M-TOR inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-08-04 — — CN disclosed
CN-110785420-A Oxazabenzopyrazole derivatives as inhibitors of PI 3-kinase activity 葛兰素史克知识产权开发有限公司 2020-02-11 — — CN disclosed
CN-110691784-A Compounds that inhibit MCL-1 protein 美国安进公司 2020-01-14 — — CN disclosed
CN-106986862-A Hepatitis c inhibitor and application thereof ABBVIE 公司 2017-07-28 — — CN disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 — — EP disclosed
CN-101993416-B Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2013-09-11 — — CN disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 — — WO disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 — — US disclosed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 — — CN disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 — — 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 (2 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-20220409619-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CA1 4716/4885CA2 4429/4885CA9 4436/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CA1 2110/4885CA2 1808/4885CA9 2319/4885

“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.