SCHEMBL7690567

SCHEMBL7690567

O=C(Nc1ccc(/C(O)=C(\O)c2ccc(NC(=O)c3ccc(OCc4ccco4)c(S(=O)(=O)N4CCOCC4)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc(OCc2ccco2)c(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
USP2 O75604 3/20 0.56
MAPT P10636 3/20 0.56
HSD17B10 Q99714 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 1/20 0.53
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
DNMT1 P26358 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 5/20 0.51
TSHR P16473 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CNR1 P21554 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL7673731 0.89 ALDH1A1 (0.54) ALDH1A1USP2MAPTHSD17B10RAB9A
SCHEMBL7673785 0.89 ALDH1A1 (0.54) ALDH1A1USP2MAPTHSD17B10RAB9A
SCHEMBL7691765 0.86 MAPK1 (0.59) ALDH1A1USP2MAPTHSD17B10HTT
SCHEMBL7664953 0.81 ALDH1A1 (0.55) ALDH1A1USP2MAPTHSD17B10RAB9A
SCHEMBL7690986 0.78 ALDH1A1 (0.66) ALDH1A1USP2MAPTHSD17B10RAB9A
SCHEMBL7671453 0.77 MAPK1 (0.60) ALDH1A1USP2MAPTHSD17B10HTT
SCHEMBL7698867 0.76 SMN1; SMN2 (0.51) ALDH1A1USP2MAPTHSD17B10RAB9A
SCHEMBL7673053 0.75 MAPK1 (0.59) ALDH1A1USP2MAPTHSD17B10HTT
SCHEMBL7669200 0.75 MAPK1 (0.59) ALDH1A1USP2MAPTHSD17B10HTT
SCHEMBL7695430 0.75 MAPK1 (0.59) ALDH1A1USP2MAPTHSD17B10HTT

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-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-15 US claimed
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO claimed
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-15 US disclosed
US-6355633-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 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-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists FSHR, GNRHR, LHCGR ALDH1A1 3990/4885USP2 1426/4885MAPT 4858/4885

“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.