Sugi Predict

Sugi Predict / Compounds / SCHEMBL22109293

SCHEMBL22109293

SCHEMBL22109293

CC1=C(CC(=O)C(C)C)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.78
▸ MAPT P10636 3/20 0.78
▸ MAPK1 P28482 3/20 0.78
▸ TDP1 Q9NUW8 2/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ PMP22 Q01453 2/20 0.78
▸ NPSR1 Q6W5P4 2/20 0.78
▸ GLA P06280 1/20 0.78
▸ TSHR P16473 1/20 0.78
▸ EDNRA P25101 1/20 0.78
▸ HIF1A Q16665 1/20 0.78
▸ HSD17B10 Q99714 1/20 0.78
▸ PPARG P37231 10/20 0.61
▸ RXRA P19793 5/20 0.61
▸ PTGS2 P35354 2/20 0.55
▸ EGFR P00533 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ DRD1 P21728 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ OPRM1 P35372 1/20 0.55

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
Exisulind SCHEMBL7631841 0.88 CYP1A2 (0.83) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL1651133 0.88 CYP1A2 (1.00) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL29395528 0.88 CYP1A2 (1.00) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL25371 0.88 CYP1A2 (1.00) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL7634637 0.88 CYP1A2 (0.83) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL4776597 0.88 CYP1A2 (1.00) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL20158513 0.88 CYP1A2 (0.83) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL7631837 0.88 CYP1A2 (0.83) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL7634632 0.88 CYP1A2 (0.83) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL7927247 0.87 CYP1A2 (0.82) CYP1A2MAPTMAPK1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
US-11225464-B2 Compositions and methods for the treatment of gastrointestinal polyps CELLIX BIO PRIVATE LIMITED (IN) 2022-01-18 — — US disclosed
US-20200190040-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS CELLIX BIO PRIVATE LIMITED (IN) 2020-06-18 — — 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-11225464-B2 Compositions and methods for the treatment of gastrointestinal polyps APC, LPXN, SCNN1G CYP1A2 729/4885MAPT 2874/4885MAPK1 2510/4885
US-20200190040-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS APC, LPXN, SCNN1G CYP1A2 729/4885MAPT 2874/4885MAPK1 2510/4885
US-20220162171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS APC, LPXN, SCNN1G CYP1A2 729/4885MAPT 2874/4885MAPK1 2510/4885

“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.