SCHEMBL18449784

SCHEMBL18449784

O=C(OC1C=CCOC1)OC1C=CCOC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.31
CA9 Q16790 4/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30

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
SCHEMBL18488392 0.93 CA12 (0.31) CA12CA9CA1CA2
SCHEMBL18449785 0.86
SCHEMBL18487524 0.84 NFKB1 (0.33)
SCHEMBL15748009 0.84
SCHEMBL8512235 0.84 CA12 (0.42) CA12CA9CA1CA2
SCHEMBL18555563 0.84 CA12 (0.42) CA12CA9CA1CA2
SCHEMBL17190433 0.77 NFKB1 (0.31)
SCHEMBL21250272 0.76
SCHEMBL17192527 0.76 BCHE (0.33)
SCHEMBL17190436 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911416-B1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY INC (US) 2024-06-12 EP disclosed
EP-3347355-B1 HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2022-07-13 EP disclosed
US-20220089571-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
CN-108349961-B Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents 西奈山伊坎医学院 2022-02-18 CN disclosed
EP-3911416-A1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER Innate Tumor Immunity, Inc. (US) 2021-11-24 EP disclosed
US-10759790-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents ICHAN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-09-01 US disclosed
WO-2020150113-A1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO disclosed
US-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-10-22 US disclosed
US-10221158-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-03-05 US disclosed
US-20180251444-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-09-06 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-2017044575-A1 CONSTRAINED BENZHYDRYL SULFONAMIDES AS ANTICANCER AND NEUROPROTECTIVE AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-03-16 WO disclosed
WO-2017044572-A1 RING CONSTRAINED DIARYLAMINO SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-03-16 WO disclosed
WO-2017044571-A1 TRICYCLIC SULTAM SULFONAMIDES AS ANTICANCER AND NEUROPROTECTIVE 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20220089571-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD CA12 4681/4885CA9 4674/4885CA1 4704/4885
US-20180251444-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS FOXO1, HDAC3, HDAC6 CA12 3393/4885CA9 3747/4885CA1 2978/4885
US-10759790-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents FOXO1, HDAC3, HDAC6 CA12 3393/4885CA9 3747/4885CA1 2978/4885
US-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols DDT, ODC1, CBR1 CA12 451/4885CA9 1144/4885CA1 177/4885
US-20180251456-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS FOXO1, HDAC3, HDAC6 CA12 3393/4885CA9 3747/4885CA1 2978/4885
US-10221158-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents FOXO1, HDAC3, HDAC6 CA12 3393/4885CA9 3747/4885CA1 2978/4885

“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.