Sugi Predict

Sugi Predict / Compounds / SCHEMBL6412449

SCHEMBL6412449

SCHEMBL6412449

CN(Cc1ccccc1F)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ RIPK1 Q13546 2/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ATM Q13315 1/20 0.51
▸ LIPE Q05469 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HCAR3 P49019 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ AGTR2 P50052 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TAS2R14 Q9NYV8 2/20 0.38

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
SCHEMBL6412451 1.00 ALDH1A1 (0.55) ALDH1A1KDM4ERIPK1MEN1KMT2A
SCHEMBL6413264 0.86 MEN1 (0.50) ALDH1A1KDM4ERIPK1MEN1KMT2A
SCHEMBL6413268 0.86 MEN1 (0.50) ALDH1A1KDM4ERIPK1MEN1KMT2A
SCHEMBL6418789 0.83 KDM4E (0.38) ALDH1A1KDM4ERIPK1MEN1KMT2A
SCHEMBL6418792 0.83 KDM4E (0.38) ALDH1A1KDM4ERIPK1MEN1KMT2A
SCHEMBL6414043 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL6416918 0.82 TSHR (0.43) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6414047 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL6416913 0.82 TSHR (0.43) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6877631 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ERIPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 — — US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 — — US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 — — US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 — — EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 — — US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 — — WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 — — 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 (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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 ALDH1A1 1020/4885KDM4E 1795/4885RIPK1 3528/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 ALDH1A1 239/4885KDM4E 847/4885RIPK1 3530/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 ALDH1A1 239/4885KDM4E 847/4885RIPK1 3530/4885

“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.