Sugi Predict

Sugi Predict / Compounds / SCHEMBL20232156

SCHEMBL20232156

SCHEMBL20232156

CC(C)c1ccc(OCCCCCCS(=O)(=O)O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TRPV1 Q8NER1 4/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ GRM2 Q14416 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 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
SCHEMBL20232157 0.84 NPSR1 (0.44) THRATHRBALDH1A1S1PR3LMNA
SCHEMBL20232151 0.84 NPSR1 (0.44) THRATHRBALDH1A1S1PR3LMNA
SCHEMBL13498036 0.82 EGFR (0.39) MRGPRX4TRPV1FFAR1ALDH1A1LMNA
SCHEMBL21778813 0.82 FABP3 (0.35) TRPV1FFAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL20230368 0.82 MRGPRX4 (0.46) MRGPRX4THRATHRBALDH1A1S1PR3
SCHEMBL20232152 0.82 ALDH1A1 (0.41) ALDH1A1LMNAL3MBTL1SMN1; SMN2BCHE
SCHEMBL15000495 0.80 THRA (0.49) MRGPRX4THRATHRBTRPV1ALDH1A1
SCHEMBL20225798 0.80 THRA (0.49) MRGPRX4THRATHRBTRPV1ALDH1A1
SCHEMBL20232153 0.80 L3MBTL1 (0.41) MRGPRX4THRATHRBFFAR1ALDH1A1
SCHEMBL25063892 0.79 TRPV1 (0.44) MRGPRX4THRATHRBTRPV1FFAR1

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-11192894-B2 Cell impermeable coelenterazine analogues PROMEGA CORPORATION (US) 2021-12-07 — — US disclosed
US-20200239475-A1 CELL IMPERMEABLE COELENTERAZINE ANALOGUES PROMEGA CORPORATION 2020-07-30 — — US disclosed
US-10577370-B2 Cell impermeable coelenterazine analogues PROMEGA CORPORATION (US) 2020-03-03 — — US disclosed
US-20180155350-A1 CELL IMPERMEABLE COELENTERAZINE ANALOGUES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-06-07 — — 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-11192894-B2 Cell impermeable coelenterazine analogues SI, GLB1, MRPL21 MRGPRX4 1795/4885THRA 4477/4885THRB 3781/4885
US-10577370-B2 Cell impermeable coelenterazine analogues SI, GLB1, MRPL21 MRGPRX4 1795/4885THRA 4477/4885THRB 3781/4885
US-20200239475-A1 CELL IMPERMEABLE COELENTERAZINE ANALOGUES SI, GLB1, MRPL21 MRGPRX4 1795/4885THRA 4477/4885THRB 3781/4885
US-20180155350-A1 CELL IMPERMEABLE COELENTERAZINE ANALOGUES SI, GLB1, MRPL21 MRGPRX4 1795/4885THRA 4477/4885THRB 3781/4885

“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.