SCHEMBL18487524

SCHEMBL18487524

CC(C)(C)OC(=O)OC1C=CCOC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL29919470 1.00 NFKB1 (0.33) NFKB1NFKB2RELAGAAUSP2
SCHEMBL17190433 0.92 NFKB1 (0.31) NFKB1NFKB2RELA
SCHEMBL18449784 0.84 CA12 (0.31)
SCHEMBL18488392 0.81 CA12 (0.31)
SCHEMBL17190429 0.81
SCHEMBL18024846 0.81
SCHEMBL8512237 0.78 CA12 (0.42)
SCHEMBL18555563 0.78 CA12 (0.42)
SCHEMBL30873268 0.78 CA12 (0.42)
SCHEMBL8512235 0.78 CA12 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187706-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2025-01-07 US disclosed
US-20230020161-A1 Tricyclic Modulators of PP2A RAPPTA THERAPEUTICS OY (FI) 2023-01-19 US 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
US-20220089571-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
US-20220089571-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US 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
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 NFKB1 61/4885NFKB2 65/4885RELA 117/4885
US-10759790-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents FOXO1, HDAC3, HDAC6 NFKB1 1016/4885NFKB2 806/4885RELA 155/4885
US-12187706-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD NFKB1 61/4885NFKB2 65/4885RELA 117/4885
US-20230020161-A1 Tricyclic Modulators of PP2A PPP2CA, PPP4C, PPP3R1 NFKB1 882/4885NFKB2 689/4885RELA 703/4885
US-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols DDT, ODC1, CBR1 NFKB1 3716/4885NFKB2 3309/4885RELA 4160/4885
US-10221158-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents FOXO1, HDAC3, HDAC6 NFKB1 1016/4885NFKB2 806/4885RELA 155/4885

“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.