SCHEMBL1314975

SCHEMBL1314975

[O-][S+](CC[S+]([O-])c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CALM1 P0DP23 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20921242 1.00 CYP3A4 (0.38) CYP3A4TDP1CALM1CES2CES1
SCHEMBL20921280 0.86 ACHE (0.42) CYP3A4TDP1CES2CES1
SCHEMBL3649073 0.85 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL30828031 0.85 TP53 (0.40) CYP3A4TDP1CALM1CES2CES1
SCHEMBL3151329 0.85 TDP1 (0.37) CYP3A4TDP1CES2CES1ALDH1A1
SCHEMBL776216 0.85 TP53 (0.40) CYP3A4TDP1CALM1CES2CES1
SCHEMBL31561298 0.85 HTR2A (0.37) CYP3A4TDP1ALDH1A1
SCHEMBL29182302 0.85 TP53 (0.40) CYP3A4TDP1CALM1CES2CES1
SCHEMBL3329057 0.85 CYP3A4 (0.32) CYP3A4TDP1CES2CES1
SCHEMBL10473578 0.85 IDO1 (0.35) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342992-A Process for preparing calcitol by using phytosterol and application thereof 广东蔚莱生物科技有限公司 2024-01-05 CN claimed
CN-119735558-A Preparation method and intermediate of aza-quinolinone derivative 成都苑东生物制药股份有限公司 2025-04-01 CN disclosed
US-20240309010-A1 METHOD FOR PRODUCING BENZOXAZOLE DERIVATIVE HAVING BICYCLIC PIPERAZINE RING OR SALT THEREOF, AND METHOD FOR PRODUCING MATERIAL THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2024-09-19 US disclosed
EP-4365174-A1 METHOD FOR PRODUCING BENZOXAZOLE DERIVATIVE HAVING BICYCLIC PIPERAZINE RING OR SALT THEREOF, AND METHOD FOR PRODUCING MATERIAL THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2024-05-08 EP disclosed
CN-117342992-A Process for preparing calcitol by using phytosterol and application thereof 广东蔚莱生物科技有限公司 2024-01-05 CN disclosed
EP-3643694-B1 METHOD FOR PRODUCING BUTADIENE COMPOUND DAIKIN IND LTD (JP) 2023-11-15 EP disclosed
CN-110317535-B Silicone-modified polyimide resin composition 信越化学工业株式会社 2022-07-19 CN disclosed
CN-109843846-B Synthesis of bicyclo [2.2.2] octane 伊士曼化工公司 2022-07-05 CN disclosed
EP-3197905-B1 METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS CLARIANT INT LTD (CH) 2021-06-30 EP disclosed
EP-3529230-B1 SYNTHESIS OF BICYCLO(2.2.2)OCTANES EASTMAN CHEM CO (US) 2020-09-30 EP disclosed
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
EP-0753540-B1 Polycarbonate resin composition MITSUBISHI ENG PLASTICS CORP (JP) 2003-06-11 EP disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 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 (1 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-20240309010-A1 METHOD FOR PRODUCING BENZOXAZOLE DERIVATIVE HAVING BICYCLIC PIPERAZINE RING OR SALT THEREOF, AND METHOD FOR PRODUCING MATERIAL THEREOF BAZ2B, JAK2, BRIX1 CYP3A4 809/4885TDP1 3556/4885CALM1 3361/4885

“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.