Sugi Predict

Sugi Predict / Compounds / SCHEMBL6492844

SCHEMBL6492844

SCHEMBL6492844

NCCCCOc1cccc(O)c1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.49
▸ LMNA P02545 1/20 0.43
▸ ITGB3 P05106 4/20 0.43
▸ ITGA2B P08514 4/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3918317 0.90 HTT (0.47) TDP1LMNAITGB3ITGA2BSLC6A2
SCHEMBL27032917 0.82 CA12 (0.55) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL3919215 0.81 TDP1 (0.71) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL3735898 0.80 CA12 (0.57) —
SCHEMBL3927385 0.79 PTPN1 (0.54) —
Hydrochloric Acid SCHEMBL5892682 0.79 CA12 (0.56) —
SCHEMBL28097048 0.79 TDP1 (0.56) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL2888832 0.79 TDP1 (0.46) TDP1LMNAHTR1AADRA1DADRA1A
SCHEMBL3915743 0.78 MAOB (0.50) TDP1MAOBMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL5892998 0.78 CA12 (0.54) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 — — US disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 — — US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 — — WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 — — WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 — — US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 — — 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 TDP1 1971/4885LMNA 657/4885ITGB3 4842/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TDP1 592/4885LMNA 4758/4885ITGB3 4411/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D TDP1 592/4885LMNA 4758/4885ITGB3 4411/4885

“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.