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SCHEMBL6079008

SCHEMBL6079008

CCON(Cc1ccc(F)cc1)C(=O)/C=C1\OC(C)(C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ RIPK1 Q13546 2/20 0.33
▸ TSPO P30536 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ YAP1 P46937 1/20 0.33
▸ TEAD4 Q15561 1/20 0.33
▸ TEAD2 Q15562 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL6077258 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMAPTTDP1RIPK1
SCHEMBL6076662 0.89 MAPT (0.35) ALDH1A1TSHRMAPTTDP1RIPK1
SCHEMBL6076668 0.89 MAPT (0.35) ALDH1A1TSHRMAPTTDP1RIPK1
SCHEMBL6077375 0.89 TDP1 (0.36) ALDH1A1TSHRMAPTTDP1L3MBTL1
SCHEMBL6077512 0.89 ALDH1A1 (0.38) ALDH1A1TSHRMAPTTDP1RIPK1
SCHEMBL6077514 0.89 ALDH1A1 (0.38) ALDH1A1TSHRMAPTTDP1RIPK1
SCHEMBL6077270 0.88 ALDH1A1 (0.34) ALDH1A1TSHRMAPTTDP1TP53
SCHEMBL6076842 0.88 TDP1 (0.35) ALDH1A1TSHRMAPTTDP1GAA
SCHEMBL6077511 0.88 TDP1 (0.35) ALDH1A1TSHRMAPTTDP1GAA
SCHEMBL6879264 0.87 TDP1 (0.34) ALDH1A1TSHRMAPTTDP1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 — — EP claimed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 — — US claimed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 — — US claimed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 — — WO claimed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 — — US disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 — — EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 — — US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 — — US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 — — US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 — — 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 (2 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF ALDH1A1 563/4885TSHR 4830/4885MAPT 1806/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 ALDH1A1 976/4885TSHR 4530/4885MAPT 1/4885

“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.