Sugi Predict

Sugi Predict / Compounds / SCHEMBL4499454

SCHEMBL4499454

SCHEMBL4499454

CCC1c2cccn2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PSEN1 P49768 6/20 0.32
▸ PSEN2 P49810 6/20 0.32
▸ APH1B Q8WW43 6/20 0.32
▸ NCSTN Q92542 6/20 0.32
▸ APH1A Q96BI3 6/20 0.32
▸ PSENEN Q9NZ42 6/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4492185 0.89 ESR1 (0.34) HSD17B10SMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL4485730 0.89 SMN1; SMN2 (0.41) LMNAHSD17B10SMN1; SMN2GAACYP1A2
SCHEMBL4502313 0.87 MMP2 (0.37) HSD17B10SMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL4501667 0.87 POLB (0.41) LMNASMN1; SMN2TP53HTTALDH1A1
SCHEMBL4508160 0.85 MMP2 (0.41) HSD17B10SMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL4495570 0.83 KMT2A (0.34) HSD17B10SMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL4498334 0.82 PSEN1 (0.37) LMNATSHRPSEN1PSEN2APH1B
SCHEMBL4511409 0.80 MMP8 (0.40) HSD17B10TP53CYP1A2CYP3A4TSHR
SCHEMBL4496321 0.80 MMP8 (0.40) HSD17B10TP53CYP1A2CYP3A4TSHR
SCHEMBL4491386 0.80 MMP8 (0.40) HSD17B10TP53CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 — — US claimed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 — — WO claimed
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 — — US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 — — US disclosed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 — — WO 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 (1 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-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 HSD17B3 1059/4885HSD17B2 969/4885LMNA 3776/4885

“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.