SCHEMBL2017325

SCHEMBL2017325

CC(C)Cc1ccc(SCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.45
MAOA P21397 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
FAAH O00519 1/20 0.43
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 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
SCHEMBL945678 0.81 SLC6A4 (0.48) SLC6A4MAOASLC6A2SLC6A3PTGS1
SCHEMBL1131597 0.80 PTGS1 (0.56) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL8119219 0.79 SLC6A4 (0.69) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL24025403 0.77 SLC6A4 (0.45) SLC6A4MAOASLC6A2SLC6A3PTGS1
SCHEMBL24196874 0.77 PTGS1 (0.47) SLC6A4MAOASLC6A2SLC6A3FAAH
SCHEMBL5174938 0.77 PTGS1 (0.54) FAAHPTGS1PTGS2LMNACYP2C9
SCHEMBL10966854 0.77 SLC6A4 (0.50) SLC6A4MAOASLC6A2SLC6A3FAAH
SCHEMBL5615782 0.77 SLC6A4 (0.41) SLC6A4MAOASLC6A2SLC6A3FAAH
SCHEMBL18787613 0.76 SLC6A4 (0.48) SLC6A4MAOASLC6A2SLC6A3PTGS1
Hydrogen Peroxide SCHEMBL9581174 0.75 PTGS1 (0.64) FAAHPTGS1PTGS2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021061823-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2021-04-01 WO disclosed
US-20110160488-A1 Fluorination Processes with Arylsulfur Halotetrafluorides I M &T RESEARCH, INC. (US) 2011-06-30 US disclosed
WO-2009114409-A2 FLUORINATION PROCESSES WITH ARYLSULFUR HALOTETRAFLUORIDES IM & T RESEARCH, INC. (US) 2009-09-17 WO 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-20110160488-A1 Fluorination Processes with Arylsulfur Halotetrafluorides CYP2F1, PFAS, CYP4F2 SLC6A4 205/4885MAOA 659/4885SLC6A2 261/4885

“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.