SCHEMBL22489549

SCHEMBL22489549

O=S(=O)(c1ccccc1C(F)(F)F)N1CCNCC1c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HTR2C P28335 6/20 0.41
▸ HTR2B P41595 6/20 0.41
▸ HTR2A P28223 4/20 0.41
▸ HTR6 P50406 2/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ PRKD3 O94806 2/20 0.35
▸ PRKCG P05129 2/20 0.35
▸ PRKCB P05771 2/20 0.35
▸ PRKCA P17252 2/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ PRKACG P22612 2/20 0.35
▸ PRKACB P22694 2/20 0.35
▸ PRKCH P24723 2/20 0.35
▸ PRKCI P41743 2/20 0.35
▸ PRKCE Q02156 2/20 0.35
▸ PRKCQ Q04759 2/20 0.35

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
SCHEMBL22490000 0.90 HSD11B1 (0.44) KMT2AHTR2CHTR2BHTR2ARAB9A
SCHEMBL22489563 0.84 HCRTR1 (0.48) KMT2AMEN1HCRTR1SMN1; SMN2CYP3A4
SCHEMBL22489561 0.84 HTR2C (0.41) KMT2AMEN1HTR2CHTR6ALOX5AP
SCHEMBL22489978 0.81 TSHR (0.42) KMT2AMEN1HTR2CHTR2BHTR2A
SCHEMBL22467153 0.80 KMT2A (0.43) KMT2AMEN1HCRTR1HSD11B1ALDH1A1
SCHEMBL22489887 0.79 HSD11B1 (0.40) KMT2AMEN1HTR2CHTR2BHTR2A
SCHEMBL22489567 0.79 KMT2A (0.36) KMT2AMEN1HTR2CHTR2BHTR2A
SCHEMBL22489984 0.78 PRKACA (0.42) KMT2AMEN1HTR2CHTR2BHTR2A
SCHEMBL4562704 0.75 KMT2A (0.52) KMT2AMEN1HTR2CHTR2BHTR2A
SCHEMBL22467365 0.75 HDAC6 (0.41) KMT2AMEN1HCRTR1ALDH1A1

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 KMT2A 3513/4885MEN1 4237/4885HTR2C 1459/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 KMT2A 3252/4885MEN1 4016/4885HTR2C 1437/4885

“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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