SCHEMBL5449341

SCHEMBL5449341

Fc1ccccc1NC(=S)Nc1ccccc1F

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
KMT2A Q03164 3/20 0.70
MAPT P10636 2/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.70
HPGD P15428 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.62
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALOX12 P18054 1/20 0.61

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
SCHEMBL29838503 1.00 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL23220327 0.87 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6832801 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5453503 0.87 HPGD (0.61) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL7666791 0.84 KMT2A (0.71) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL21595530 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5450015 0.82 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1LMNAHPGD
SCHEMBL4683211 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL12835096 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL20560546 0.82 RAB9A (0.57) ALDH1A1KMT2AMAPTMEN1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129765-A1 METHOD FOR PRODUCING POLYTHIOETHER COMPOUND DAICEL CORPORATION (JP) 2023-04-27 US disclosed
EP-4108705-A1 METHOD FOR PRODUCING POLYTHIOETHER COMPOUND Daicel Corporation (JP) 2022-12-28 EP disclosed
EP-2700636-B1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS ASAHI CHEMICAL IND (JP) 2017-08-02 EP disclosed
US-9359324-B2 Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-06-07 US disclosed
US-20150197501-A1 Process for Preparing Episulfide Compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-16 US disclosed
US-9051293-B2 Process for preparing episulfide compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-06-09 US disclosed
CN-102617564-B Compound and preparation method thereof UNIV XI AN JIAOTONG 2015-04-29 CN disclosed
CN-102617563-B Compound and preparation method thereof UNIV XI AN JIAOTONG 2015-04-29 CN disclosed
US-20140107350-A1 Process for Preparing Episulfide Compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-04-17 US disclosed
EP-2700636-A1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS Asahi Kasei Chemicals Corporation (JP) 2014-02-26 EP disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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-20150197501-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS ALDH1A1 405/4885KMT2A 867/4885MAPT 4698/4885
US-20140107350-A1 Process for Preparing Episulfide Compounds TST, EPHX2, STS ALDH1A1 405/4885KMT2A 867/4885MAPT 4698/4885

“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.