Sugi Predict

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SCHEMBL6413774

SCHEMBL6413774

COC(=O)C(O)=CC(=O)N(C)Cc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TACR1 P25103 2/20 0.39
▸ PYCR1 P32322 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37

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
SCHEMBL6413772 1.00 MEN1 (0.43) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL6414043 0.86 MEN1 (0.46) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL6414047 0.86 MEN1 (0.46) MEN1KMT2ABCHEACHEALDH1A1
SCHEMBL6421217 0.84 TSHR (0.39) MEN1KMT2AALDH1A1PYCR1NPC1
SCHEMBL6413264 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1NPSR1RAB9A
SCHEMBL6413268 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1NPSR1RAB9A
SCHEMBL6421220 0.84 TSHR (0.39) MEN1KMT2AALDH1A1PYCR1NPC1
SCHEMBL6417762 0.83 SLC6A2 (0.43) MEN1KMT2AALDH1A1NPSR1CRHBP
SCHEMBL6417764 0.83 SLC6A2 (0.43) MEN1KMT2AALDH1A1NPSR1CRHBP
SCHEMBL6077209 0.82 CYP1A2 (0.47) MEN1KMT2AALDH1A1

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 MEN1 4741/4885KMT2A 1208/4885BCHE 3046/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MEN1 4837/4885KMT2A 1330/4885BCHE 3680/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MEN1 4837/4885KMT2A 1330/4885BCHE 3680/4885

“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.