SCHEMBL18448706

SCHEMBL18448706

FC(F)(F)c1ccc2c(c1)Oc1cc(C(F)(F)F)ccc1N2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.45
▸ NOX1 Q9Y5S8 2/20 0.43
▸ CYBB P04839 1/20 0.43
▸ NOX3 Q9HBY0 1/20 0.43
▸ NOX4 Q9NPH5 1/20 0.43
▸ ALOX5 P09917 1/20 0.41
▸ KIF11 P52732 5/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ PTPN5 P54829 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL30811586 0.91 KIF11 (0.49) ACE2NOX1CYBBNOX3NOX4
SCHEMBL29636446 0.91 ALOX5 (0.59) ACE2NOX1CYBBNOX3NOX4
SCHEMBL18614108 0.91 ALOX5 (0.59) ACE2NOX1CYBBNOX3NOX4
SCHEMBL27344289 0.91 KIF11 (0.49) ACE2NOX1CYBBNOX3NOX4
SCHEMBL31512592 0.85 TAAR1 (0.42) ACE2NOX1CYBBNOX3NOX4
SCHEMBL30811571 0.85 ACE2 (0.49) ACE2NOX1CYBBNOX3NOX4
SCHEMBL27344608 0.85 ACE2 (0.46) ACE2NOX1CYBBNOX3NOX4
SCHEMBL31512645 0.85 ACE2 (0.40) ACE2NOX1CYBBNOX3NOX4
SCHEMBL27344609 0.85 ACE2 (0.46) ACE2NOX1CYBBNOX3NOX4
SCHEMBL27344606 0.85 ACE2 (0.46) ACE2NOX1CYBBNOX3NOX4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 — — US claimed
US-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 — — US claimed
EP-3830232-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS The Procter & Gamble Company (US) 2021-06-09 — — EP claimed
US-20200032173-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2020-01-30 — — US claimed
WO-2020023812-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2020-01-30 — — WO claimed
US-20200032167-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY 2020-01-30 — — US claimed
US-20230392018-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY 2023-12-07 — — US disclosed
EP-4237498-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS Milliken & Company (US) 2023-09-06 — — EP disclosed
EP-3347355-B1 HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2022-07-13 — — EP disclosed
EP-3347355-B1 HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2022-07-13 — — EP disclosed
WO-2022093189-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY (US) 2022-05-05 — — WO disclosed
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 — — US disclosed
US-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 — — US disclosed
US-20180251456-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICHAN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-09-06 — — US disclosed
EP-3347355-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS Icahn School of Medicine at Mount Sinai (US) 2018-07-18 — — EP disclosed
EP-3331867-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS Icahn School of Medicine at Mount Sinai (US) 2018-06-13 — — EP disclosed
WO-2017044569-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-03-16 — — WO disclosed
WO-2017044569-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-03-16 — — WO disclosed
WO-2017024229-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS ICAHN SCHOOL OF MEDECINE AT MOUNT SINAI (US) 2017-02-09 — — WO disclosed
WO-2017024229-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS ICAHN SCHOOL OF MEDECINE AT MOUNT SINAI (US) 2017-02-09 — — 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-20180251456-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS FOXO1, HDAC3, HDAC6 ACE2 4358/4885NOX1 2743/4885CYBB 3438/4885

“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.

Send feedback