SCHEMBL29360899

SCHEMBL29360899

O=C(O)/C=C/C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.47
ATM Q13315 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL7102707 0.98 HCAR2 (0.49) HCAR2ATMTHRB
SCHEMBL7102709 0.98 HCAR2 (0.49) HCAR2ATMTHRB
SCHEMBL10457601 0.93 ATM (0.38) HCAR2ATMTHRB
SCHEMBL10457602 0.93 ATM (0.38) HCAR2ATMTHRB
SCHEMBL2522481 0.93 ATM (0.38) HCAR2ATMTHRB
SCHEMBL1426647 0.93 ATM (0.38) HCAR2ATMTHRB
SCHEMBL11644944 0.93 ATM (0.38) HCAR2ATMTHRB
SCHEMBL3735408 0.93 ATM (0.38) HCAR2ATMTHRB
SCHEMBL10456292 0.92 ATM (0.39) HCAR2ATMTHRB
SCHEMBL1426811 0.92 ATM (0.39) HCAR2ATMTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022016202-A1 PLEUROMUTILIN DERIVATIVE AND/OR IVERMECTIN, FOR THERAPY OF INFECTIONS, IN PARTICULAR CORONA VIRUSES ASCHER GERD (AT) 2022-01-27 WO claimed
US-20230021520-A1 1-[2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT H. LUNDBECK A/S (DK) 2023-01-26 US disclosed
CN-115340538-A 8-phenyliminomethyl berberine type derivatives and application thereof in preparing medicines 中国医学科学院药物研究所 2022-11-15 CN disclosed
US-11458134-B2 1-[2-(2,4-dimeihylphenylsulfanyl)-phenyl]piperazine as a compound with combined serotonin reuptake, 5-HT3 and 5-HT1A activity for the treatment of cognitive impairment H. LUNDBECK A/S (DK) 2022-10-04 US disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN 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-11458134-B2 1-[2-(2,4-dimeihylphenylsulfanyl)-phenyl]piperazine as a compound with combined serotonin reuptake, 5-HT3 and 5-HT1A activity for the treatment of cognitive impairment HTR3A, HTR2C, HTR2A HCAR2 489/4885ATM 3801/4885THRB 1371/4885
US-20230021520-A1 1-[2-(2,4-DIMETHYLPHENYLSULFANYL)-PHENYL]PIPERAZINE AS A COMPOUND WITH COMBINED SEROTONIN REUPTAKE, 5-HT3 AND 5-HT1A ACTIVITY FOR THE TREATMENT OF COGNITIVE IMPAIRMENT HTR3A, HTR2C, HTR5A HCAR2 710/4885ATM 3318/4885THRB 1441/4885

“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.