SCHEMBL18449658

SCHEMBL18449658

O=C(OC1C=CCCO1)OC1C=CCCO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31

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
SCHEMBL18449659 0.86 CYP2C19 (0.33) CYP2C19
SCHEMBL29919733 0.84 USP2 (0.30)
SCHEMBL7044598 0.76
SCHEMBL5187701 0.72
SCHEMBL7298646 0.71
SCHEMBL3084499 0.66 CYP2C19 (0.39) CYP2C19
SCHEMBL20159047 0.63 CHRM2 (0.33)
SCHEMBL20141506 0.63 CHRM2 (0.33)
SCHEMBL534090 0.62
SCHEMBL5835900 0.62 MAPT (0.38)

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
EP-3347355-B1 HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2022-07-13 EP 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
US-10759790-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents ICHAN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-09-01 US 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-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-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 (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-10759790-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents FOXO1, HDAC3, HDAC6 CYP2C19 4417/4885
US-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols DDT, ODC1, CBR1 CYP2C19 554/4885
US-20180251456-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS FOXO1, HDAC3, HDAC6 CYP2C19 4417/4885

“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.