SCHEMBL22023906

SCHEMBL22023906

CCCCCC(C)(C)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
CNR2 P34972 15/20 0.38
CNR1 P21554 12/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ACLY P53396 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL15005386 0.98 ESR1 (0.41) ESR1CNR2CNR1HDAC1HDAC11
SCHEMBL22246056 0.98 ESR1 (0.41) ESR1CNR2CNR1HDAC1HDAC11
SCHEMBL11819809 0.98 ESR1 (0.41) ESR1CNR2CNR1HDAC1HDAC11
SCHEMBL3214672 0.98 ESR1 (0.41) ESR1CNR2CNR1HDAC1HDAC11
SCHEMBL7683272 0.94 ESR1 (0.43) ESR1CNR2CNR1HDAC1HDAC11
SCHEMBL18949950 0.86 ESR1 (0.49) ESR1CNR2CNR1ACLYCHRM3
SCHEMBL21507866 0.84 ESR1 (0.41) ESR1CNR2CNR1HDAC1HDAC11
SCHEMBL21191577 0.84 ESR1 (0.41) ESR1CNR2CNR1HDAC1HDAC11
SCHEMBL19204390 0.84 ESR1 (0.41) ESR1CNR2CNR1HDAC1HDAC11
SCHEMBL9557316 0.84 ESR1 (0.41) ESR1CNR2CNR1HDAC1HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787799-B2 Potent antiviral pyrazolopyridine compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-17 US disclosed
US-20220119384-A1 POTENT ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-04-21 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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 (4 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-11787799-B2 Potent antiviral pyrazolopyridine compounds MAVS, VRK1, VRK2 ESR1 4809/4885CNR2 3923/4885CNR1 3702/4885
US-20220119384-A1 POTENT ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS MAVS, VRK1, VRK2 ESR1 4809/4885CNR2 3923/4885CNR1 3702/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ESR1 1662/4885CNR2 2902/4885CNR1 2040/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF ESR1 1662/4885CNR2 2902/4885CNR1 2040/4885

“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.