SCHEMBL3063707

SCHEMBL3063707

Nc1ccccc1CC[S]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.41
▸ FDPS P14324 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TAAR1 Q96RJ0 6/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ AR P10275 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 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
SCHEMBL234864 0.84 CYP3A4 (0.53) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL3982856 0.79 — —
SCHEMBL11152568 0.79 — —
SCHEMBL23159894 0.79 ALOX15 (0.47) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL23159850 0.79 ALOX15 (0.47) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL30929931 0.77 SIGMAR1 (0.46) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL23159817 0.77 SIGMAR1 (0.46) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL341815 0.77 TAAR1 (0.58) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL6004011 0.77 SIGMAR1 (0.46) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL25176434 0.75 TAAR1 (0.56) ALOX15CYP3A4CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620676-A ADENOSINE TRIPHOSPHATE DERIVATIVES; TREATMENT OF SEPTIC SHOCK OR BRAIN SEIZURES, LEARNING ENHANCEMENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-04-15 — — US claimed
US-7790735-B2 Methanocarba cycloalkyl nucleoside analogues THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-09-07 — — US disclosed
US-20060270629-A1 Methanocarba cycloalkyl nucleoside analogues Govt of the U.S.A., represented by the Secretary, Dept of Health & Human Services (US) 2006-11-30 — — US disclosed
EP-1252160-B1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES US GOV HEALTH & HUMAN SERV (US) 2006-08-16 — — EP disclosed
US-7087589-B2 Methanocarba cycloakyl nucleoside analogues THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-08 — — US disclosed
US-20030216412-A1 Methanocarba cycloakyl nucleoside analogues HEALTH AND HUMAN SERVICES, GOVERNMENT OF THE UNITED STATES OF AMERICA, THE, REPRESENTED BY THE SECRETARY, DEPARTMENT OF 2003-11-20 — — US disclosed
EP-1252160-A1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-10-30 — — EP disclosed
WO-2001051490-A1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-07-19 — — 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 (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-20030216412-A1 Methanocarba cycloakyl nucleoside analogues P2RY1, ADORA1, ADORA2A ALOX15 1699/4885CYP3A4 2638/4885CASP1 1408/4885
US-20060270629-A1 Methanocarba cycloalkyl nucleoside analogues ADORA2A, ADORA1, ADORA2B ALOX15 1283/4885CYP3A4 2634/4885CASP1 1875/4885

“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.

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