Sugi Predict

Sugi Predict / Compounds / SCHEMBL6417302

SCHEMBL6417302

SCHEMBL6417302

COC(=O)C(O)=CC(=O)N(CCOc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HCRTR2 O43614 2/20 0.42
▸ FAAH O00519 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC2A4 P14672 2/20 0.39
▸ SLC2A8 Q9NY64 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ YAP1 P46937 1/20 0.38
▸ TEAD4 Q15561 1/20 0.38
▸ TEAD2 Q15562 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ HTR2A P28223 1/20 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
SCHEMBL6417299 1.00 LTA4H (0.48) LTA4HKDM4ESMN1; SMN2HCRTR2FAAH
SCHEMBL6418449 0.96 LTA4H (0.44) LTA4HKDM4ESMN1; SMN2HCRTR2MEN1
SCHEMBL6418450 0.96 LTA4H (0.44) LTA4HKDM4ESMN1; SMN2HCRTR2MEN1
SCHEMBL6419517 0.90 HDAC1 (0.43) LTA4HSMN1; SMN2MEN1KMT2ACA12
SCHEMBL6419520 0.90 HDAC1 (0.43) LTA4HSMN1; SMN2MEN1KMT2ACA12
SCHEMBL6412398 0.88 KDM4E (0.47) LTA4HKDM4ESMN1; SMN2HCRTR2FAAH
SCHEMBL6412403 0.88 KDM4E (0.47) LTA4HKDM4ESMN1; SMN2HCRTR2FAAH
SCHEMBL6076667 0.88 CA12 (0.44) MEN1KMT2AYAP1TEAD4TEAD2
SCHEMBL6076664 0.88 CA12 (0.44) MEN1KMT2AYAP1TEAD4TEAD2
SCHEMBL6419271 0.84 NPC1 (0.43) LTA4HKDM4ESMN1; SMN2HCRTR2MEN1

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 LTA4H 2641/4885KDM4E 1795/4885SMN1; SMN2 4752/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 LTA4H 3134/4885KDM4E 847/4885SMN1; SMN2 4668/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 LTA4H 3134/4885KDM4E 847/4885SMN1; SMN2 4668/4885

“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.