SCHEMBL22489984

SCHEMBL22489984

Cc1cnccc1-c1cccc(C2CNCCN2S(=O)(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 4/20 0.42
▸ PRKCD Q05655 4/20 0.42
▸ PRKD3 O94806 3/20 0.42
▸ PRKACG P22612 3/20 0.42
▸ PRKACB P22694 3/20 0.42
▸ PRKCZ Q05513 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ PRKCG P05129 2/20 0.42
▸ PRKCB P05771 2/20 0.42
▸ PRKCA P17252 2/20 0.42
▸ PRKCH P24723 2/20 0.42
▸ PRKCI P41743 2/20 0.42
▸ PRKCE Q02156 2/20 0.42
▸ PRKCQ Q04759 2/20 0.42
▸ PRKD1 Q15139 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 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
SCHEMBL22489772 0.92 PRKACA (0.40) PRKACAPRKCDPRKD3PRKACGPRKACB
SCHEMBL22467207 0.90 PRKACA (0.46) PRKACAPRKCDPRKD3PRKACGPRKACB
SCHEMBL22467344 0.87 HCRTR1 (0.46) KMT2ASMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL22467385 0.86 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1CYP3A4TSHR
SCHEMBL22467442 0.85 PRKACA (0.44) PRKACAPRKCDPRKD3PRKACGPRKACB
SCHEMBL22467419 0.85 PRKACA (0.44) PRKACAPRKCDPRKD3PRKACGPRKACB
Hydrochloric Acid SCHEMBL22467498 0.84 PRKACA (0.44) PRKACAPRKCDPRKD3PRKACGPRKACB
SCHEMBL22467398 0.83 KMT2A (0.43) KMT2ASMN1; SMN2MEN1CYP3A4RAB9A
SCHEMBL22489892 0.83 KMT2A (0.43) KMT2ASMN1; SMN2MEN1CYP3A4RAB9A
SCHEMBL22467401 0.83 KMT2A (0.43) KMT2ASMN1; SMN2MEN1CYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 — — US disclosed
US-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2020-10-01 — — 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 (2 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-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, SSTR5, FFAR3 PRKACA 1900/4885PRKCD 2077/4885PRKD3 2337/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 PRKACA 1890/4885PRKCD 2395/4885PRKD3 2501/4885

“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.

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