SCHEMBL22808480

SCHEMBL22808480

C[C@H](C(=O)NCc1ccc(CNC(=O)Cc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 2/20 0.63
▸ ERCC4 Q92889 2/20 0.63
▸ ALDH1A1 P00352 4/20 0.61
▸ LMNA P02545 1/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ NPC1 O15118 1/20 0.59
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL5804315 0.89 ERCC1 (0.70) ERCC1ERCC4ALDH1A1GAAMAPT
SCHEMBL28946362 0.89 ERCC1 (0.70) ERCC1ERCC4ALDH1A1GAAMAPT
SCHEMBL25737010 0.84 ALDH1A1 (0.74) ERCC1ERCC4ALDH1A1LMNAL3MBTL1
SCHEMBL12478223 0.81 CHRM1 (0.63) ERCC1ERCC4LMNA
SCHEMBL392625 0.81 ALDH1A1 (0.82) ERCC1ERCC4ALDH1A1LMNAL3MBTL1
SCHEMBL3692414 0.81 ERCC1 (0.63) ERCC1ERCC4ALDH1A1L3MBTL1GAA
SCHEMBL8009978 0.80 CNR2 (0.56) ERCC1ERCC4ALDH1A1LMNAMAPT
SCHEMBL8652028 0.80 BCHE (0.59) ERCC1ERCC4KMT2AMEN1
SCHEMBL15456842 0.79 ERCC1 (0.58) ERCC1ERCC4ALDH1A1L3MBTL1KMT2A
SCHEMBL22051973 0.79 ALDH1A1 (0.56) ERCC1ERCC4ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 — — US disclosed
US-20220119417-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-21 — — US disclosed
US-20210009609-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-14 — — US disclosed
US-10870663-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-22 — — 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 (4 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-20220119417-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 ERCC1 2061/4885ERCC4 1131/4885ALDH1A1 424/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 ERCC1 2061/4885ERCC4 1131/4885ALDH1A1 424/4885
US-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 ERCC1 3859/4885ERCC4 2299/4885ALDH1A1 962/4885
US-20210009609-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 ERCC1 2058/4885ERCC4 1004/4885ALDH1A1 474/4885

“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.

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