SCHEMBL983848

SCHEMBL983848

COc1ccc(C(Br)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ACP3 P15309 1/20 0.53
LDHA P00338 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
AKR1C3 P42330 6/20 0.50
AKR1C2 P52895 6/20 0.50
PTGS2 P35354 3/20 0.50
PTGS1 P23219 3/20 0.50
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50

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
SCHEMBL6844006 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1ACP3LDHAL3MBTL1
SCHEMBL8933321 0.84 ALDH1A1 (0.47) CYP1A2ALDH1A1ACP3L3MBTL1CES2
SCHEMBL7017619 0.84 ALDH1A1 (0.57) CYP1A2ALDH1A1ACP3L3MBTL1PTGS2
SCHEMBL11778400 0.84 AKR1C3 (0.69) CYP1A2L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL378101 0.82 KMT2A (0.49) CYP1A2ALDH1A1CES2CES1NPC1
SCHEMBL7473317 0.82 PARP10 (0.52) CYP1A2ALDH1A1ACP3CES2CES1
SCHEMBL11451243 0.81 MAPT (0.56) ALDH1A1CES2CES1MAPTTSHR
SCHEMBL3089210 0.81 ALDH1A1 (0.62) CYP1A2ALDH1A1CES2CES1NPC1
SCHEMBL6201289 0.80 ALDH1A1 (0.61) CYP1A2ALDH1A1ACP3L3MBTL1CES2
SCHEMBL11302672 0.80 SRD5A2 (0.56) PTGS1CES2CES1TSHRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
CN-116675642-A Preparation method of chiral aporphine alkaloid 智简生物科技(上海)有限公司 2023-09-01 CN disclosed
EP-3571205-B1 THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-08-30 EP disclosed
WO-2023155873-A1 CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PHARMACEUTICS 江苏恒瑞医药股份有限公司 2023-08-24 WO disclosed
CN-114524798-B Benzodithiocarbazaheterocycle derivative and preparation method and application thereof 华南师范大学 2023-04-07 CN disclosed
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2022-10-20 US disclosed
CN-114524798-A Benzodithiocarbazaheterocycle derivative and preparation method and application thereof 华南师范大学 2022-05-24 CN disclosed
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
CN-106999479-B Heteroaryl compounds useful as inhibitors of SUMO activating enzyme 米伦纽姆医药公司 2021-07-16 CN disclosed
EP-3517112-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
US-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 US disclosed
EP-0045165-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITORS CONTAINING SUCH DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1986-03-12 EP disclosed
US-4446143-A Rhodanine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1984-05-01 US disclosed
EP-0045165-A1 Rhodanine derivatives, a process for their preparation, and aldose reductase inhibitors containing such derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1982-02-03 EP 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 (3 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-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 CYP1A2 356/4885ALDH1A1 1512/4885ACP3 2781/4885
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 CYP1A2 356/4885ALDH1A1 1512/4885ACP3 2781/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS CYP1A2 3179/4885ALDH1A1 1497/4885ACP3 993/4885

“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.