Sugi Predict

Sugi Predict / Compounds / SCHEMBL6445119

SCHEMBL6445119

SCHEMBL6445119

[CH2][C@@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 5/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ EPHX1 P07099 1/20 0.35

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
SCHEMBL6445116 1.00 TAAR1 (0.37) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL10446887 0.81 TAAR1 (0.42) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL6445022 0.77 TAAR1 (0.40) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL6444086 0.77 ALDH1A1 (0.38) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL6444089 0.77 TAAR1 (0.40) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL7277365 0.77 CYP1A2 (0.59) CYP1A2
SCHEMBL6445019 0.77 ALDH1A1 (0.38) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL7269232 0.77 CYP1A2 (0.59) CYP1A2
SCHEMBL7163321 0.77 CYP1A2 (0.59) CYP1A2
SCHEMBL7273938 0.76 MAPT (0.40) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 — — EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 — — US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 — — EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 — — 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 TAAR1 3062/4885SLC6A2 1965/4885SIGMAR1 4151/4885

“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.