SCHEMBL943710

SCHEMBL943710

Cc1cccc(SSc2cccc(C)c2Br)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP2A6 P11509 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ APOBEC3G Q9HC16 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.33
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ TRPA1 O75762 2/20 0.32
▸ CD44 P16070 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL16951365 0.83 ALDH1A1 (0.39) ALDH1A1CYP2A6CYP1A2TSHRACHE
SCHEMBL30978699 0.83 ALDH1A1 (0.39) ALDH1A1CYP2A6CYP1A2TSHRACHE
SCHEMBL30978697 0.83 ALDH1A1 (0.39) ALDH1A1CYP2A6CYP1A2TSHRACHE
SCHEMBL62013 0.78 — —
SCHEMBL8164803 0.78 ALDH1A1 (0.53) ALDH1A1CYP2A6CYP1A2TSHRACHE
Cyanide SCHEMBL27932755 0.76 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP1A2TSHRACHE
SCHEMBL126987 0.75 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A2TSHRACHE
SCHEMBL30802271 0.74 APOBEC3G (0.36) ALDH1A1APOBEC3GMEN1MAPTKMT2A
SCHEMBL944441 0.74 APOBEC3G (0.36) ALDH1A1APOBEC3GMEN1MAPTKMT2A
SCHEMBL576522 0.74 TRPA1 (0.46) ALDH1A1CYP2A6CYP1A2TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468722-B1 Process for producing arylsulfur halotetrafluorides UBE INDUSTRIES (JP) 2014-10-01 — — EP disclosed
EP-2468721-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2014-02-26 — — EP disclosed
EP-2468720-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-11-27 — — EP disclosed
EP-2468719-B1 Process for producing arylsulfur pentafluorides UBE INDUSTRIES (JP) 2013-10-16 — — EP disclosed
EP-2137144-B1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES UBE INDUSTRIES (JP) 2013-07-31 — — EP disclosed
US-8399720-B2 Methods for producing fluorinated phenylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2013-03-19 — — US disclosed
EP-2468722-A1 Process for producing arylsulfur halotetrafluorides UBE Industries, Ltd. (JP) 2012-06-27 — — EP disclosed
EP-2468721-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 — — EP disclosed
EP-2468719-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 — — EP disclosed
EP-2468720-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 — — EP disclosed
US-20110004022-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2011-01-06 — — US disclosed
US-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-05-27 — — US disclosed
WO-2010014665-A1 METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2010-02-04 — — WO disclosed
EP-2137144-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T Research, Inc. (US) 2009-12-30 — — EP disclosed
US-7592491-B2 Process for producing arylsulfur pentafluorides IM&T RESEARCH, INC. (US) 2009-09-22 — — US disclosed
WO-2008118787-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM & T RESEARCH, INC. (US) 2008-10-02 — — WO disclosed
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2008-09-25 — — 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 (3 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-20100130790-A1 Methods for Producing Fluorinated Phenylsulfur Pentafluorides BRPF1, SFXN3, SLFN12 ALDH1A1 3759/4885CYP2A6 2571/4885CYP1A2 3830/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA ALDH1A1 2190/4885CYP2A6 267/4885CYP1A2 1586/4885
US-20110004022-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA ALDH1A1 2190/4885CYP2A6 267/4885CYP1A2 1586/4885

“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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