SCHEMBL744449

SCHEMBL744449

CC(O)(c1ccc(I)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.50
NR1H3 Q13133 1/20 0.42

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
SCHEMBL10165226 0.88 HSD11B1 (0.59) HSD11B1NR1H3
SCHEMBL15459955 0.81 HSD11B1 (0.53) HSD11B1NR1H3
SCHEMBL25753451 0.81 HSD11B1 (0.53) HSD11B1NR1H3
SCHEMBL27652960 0.81 TRPV1 (0.40) HSD11B1NR1H3
SCHEMBL12334058 0.80 TRPV1 (0.70)
SCHEMBL5530921 0.79 MLYCD (0.52) HSD11B1NR1H3
SCHEMBL11920703 0.79 MLYCD (0.52) HSD11B1NR1H3
SCHEMBL14697375 0.79 HSD11B1 (0.72) HSD11B1NR1H3
SCHEMBL8482502 0.79 ESR1 (0.56) HSD11B1
SCHEMBL2102455 0.79 HSD11B1 (0.72) HSD11B1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216361-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2024-07-04 US disclosed
US-20230277527-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2023-09-07 US disclosed
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 US disclosed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US 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-20230277527-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA HSD11B1 87/4885NR1H3 18/4885
US-20240216361-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA HSD11B1 87/4885NR1H3 18/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL HSD11B1 189/4885NR1H3 28/4885

“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.