Sugi Predict

Sugi Predict / Compounds / SCHEMBL639945

SCHEMBL639945

SCHEMBL639945

COC(=O)C(Br)c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LPAR1 Q92633 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CTSD P07339 1/20 0.43
▸ KCNK3 O14649 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL11276948 0.88 KMT2A (0.50) L3MBTL1KMT2AALDH1A1
SCHEMBL6788195 0.84 POLB (0.48) POLBHTTNPSR1L3MBTL1KMT2A
SCHEMBL23395540 0.84 KCNK3 (0.46) NPSR1L3MBTL1KMT2AKCNK3KCNK9
SCHEMBL7468522 0.83 KMT2A (0.53) POLBHTTNPSR1L3MBTL1LPAR1
SCHEMBL8933613 0.83 POLB (0.47) POLBHTTNPSR1L3MBTL1LPAR1
SCHEMBL29874723 0.82 CYP2C19 (0.42) HTTKMT2AALDH1A1
SCHEMBL23362838 0.82 CYP2C19 (0.42) HTTKMT2AALDH1A1
SCHEMBL29449427 0.82 CYP2C19 (0.42) HTTKMT2AALDH1A1
SCHEMBL23362931 0.82 MEN1 (0.40) HTTNPSR1KMT2A
SCHEMBL7475532 0.81 CA1 (0.48) POLBHTTNPSR1L3MBTL1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 — — US disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 — — US disclosed
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 — — EP disclosed
CN-115160340-B Small molecular compound with ACK1 inhibition activity and application thereof 四川大学华西医院 2023-07-21 — — CN disclosed
US-11680070-B2 Thieno[2,3-c]pyridazin-4(1H)-one derivative and application thereof MEDSHINE DISCOVERY INC. (CN) 2023-06-20 — — US disclosed
US-11680070-B2 Thieno[2,3-c]pyridazin-4(1H)-one derivative and application thereof MEDSHINE DISCOVERY INC. (CN) 2023-06-20 — — US disclosed
EP-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 — — EP disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 — — US disclosed
EP-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 — — EP disclosed
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 — — US disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 — — WO disclosed
WO-2007139992-A2 ALDOSTERONE SYNTHASE AND/OR 11β-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2007-12-06 — — WO disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 — — US disclosed
WO-1994021255-A1 SIX-MEMBERED RING FUSED IMIDAZOLES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 — — WO disclosed
US-5334598-A Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma MERCK & CO., INC. (US) 1994-08-02 — — US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 — — US disclosed
CN-1020607-C PROCESS FOR PREPARATION OF BENZOTHIAZINE DERIVS. HOECHST AG (DE) 1993-05-12 — — CN disclosed
US-4723031-A Processes for synthesizing substituted and unsubstituted aminoacetate esters CHEVRON RESEARCH COMPANY (US) 1988-02-02 — — US disclosed
CN-85101312-A Process for preparing Benzothiazine derivatives — 1987-04-08 — — CN disclosed
US-4595685-A Pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-17 — — 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 (4 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B POLB 3902/4885HTT 3245/4885NPSR1 148/4885
US-11680070-B2 Thieno[2,3-c]pyridazin-4(1H)-one derivative and application thereof ACACB, ACACA, NAT1 POLB 1629/4885HTT 4681/4885NPSR1 4012/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D POLB 1602/4885HTT 1981/4885NPSR1 3797/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 POLB 3540/4885HTT 118/4885NPSR1 4236/4885

“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.