SCHEMBL5773344

SCHEMBL5773344

Fc1cc(Cl)ccc1SSc1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.40
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
FBP1 P09467 1/20 0.38
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36

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
SCHEMBL30686450 1.00 CCR2 (0.40) CCR2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL27673588 0.87 CYP3A4 (0.38) CCR2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL23912721 0.83 CCR2 (0.39) CCR2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL7263092 0.82 CYP3A4 (0.44) CCR2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL19122057 0.81 CCR2 (0.38) CCR2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL20734681 0.81 CCR2 (0.53) CCR2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL13816982 0.78 CCR2 (0.36) CCR2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL530450 0.75
SCHEMBL29443091 0.75
SCHEMBL30453204 0.74 ALDH1A1 (0.46) ALDH1A1CYP2A6TDP1MAPK14ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2024-02-29 US disclosed
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2024-02-29 US disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 CN disclosed
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US disclosed
EP-1395590-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-A]INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-03-10 EP disclosed
WO-2002094830-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-a]-INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2002-11-28 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 (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-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS GLP1R, GIPR, GCGR CCR2 851/4885ALDH1A1 1390/4885ALOX15 3698/4885
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR CCR2 257/4885ALDH1A1 860/4885ALOX15 64/4885

“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.