SCHEMBL6628404

SCHEMBL6628404

O=S(=O)(c1cccc2[nH]ccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.43
HTR6 P50406 3/20 0.39
DHPS P49366 2/20 0.38
PIK3CD O00329 1/20 0.37
TRPA1 O75762 1/20 0.36
RHEB Q15382 3/20 0.35
MAPK1 P28482 1/20 0.35
ADRB1 P08588 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
NAMPT P43490 2/20 0.34
PIP4K2A P48426 1/20 0.33
PIP4K2B P78356 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 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
SCHEMBL29751642 0.80 AHR (0.47) AHRHTR6DHPSPIK3CDTRPA1
SCHEMBL28621770 0.80 AHR (0.50) AHRHTR6DHPSPIK3CDTRPA1
SCHEMBL337953 0.77 AHR (0.52) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL3799597 0.77 TTR (0.47) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL10179436 0.77 AHR (0.47) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL1037724 0.77 AHR (0.47) AHRHTR6DHPSPIK3CDRHEB
Hydrochloric Acid SCHEMBL28245580 0.75 TTR (0.46) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL4302508 0.72 HTR6 (0.46) AHRHTR6DHPSMAPK1PIP4K2A
SCHEMBL30437454 0.72 HTR6 (0.49) AHRHTR6DHPSPIK3CDRHEB
SCHEMBL28021860 0.72 NAMPT (0.46) AHRHTR6NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822100-B2 REACTING N-SULFONYL-3-VINYLINDOLE WITH RUTHENIUM COMPLEX IN PRESENCE OF ETHYL DIAZOACETATE AND TOLUENE; PSYCHOLOGICAL, SEXUAL, AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-23 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 US disclosed
EP-1373203-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 US disclosed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 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 (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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 AHR 7/4885HTR6 35/4885DHPS 1776/4885
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 AHR 2865/4885HTR6 15/4885DHPS 806/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C AHR 2253/4885HTR6 13/4885DHPS 744/4885

“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.