SCHEMBL24997644

SCHEMBL24997644

CCCCC(C)COC(=O)CCSc1ccc(C(=O)OC)nc1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.33
▸ LNPEP Q9UIQ6 2/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ GSTP1 P09211 1/20 0.31
▸ GSTM2 P28161 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25395095 0.72 CCNE1 (0.33) CYP3A4TSHRATMTDP1PDE1A
SCHEMBL1391628 0.71 ALDH1A1 (0.49) ERAP2LNPEPCYP3A4TSHRATM
SCHEMBL24143452 0.69 CYP3A4 (0.39) CYP3A4TSHRATMTDP1MAPT
SCHEMBL1390700 0.69 ALDH1A1 (0.50) ERAP2LNPEPSMN1; SMN2CYP3A4TSHR
SCHEMBL19274477 0.69 CYP3A4 (0.34) CYP3A4TSHRATMTDP1PDE1A
SCHEMBL25393768 0.69 KDM4E (0.37) TDP1MAPTKDM4EPOLBALDH1A1
SCHEMBL31050068 0.69 KDM4E (0.37) TDP1MAPTKDM4EPOLBALDH1A1
SCHEMBL25394973 0.69 THRB (0.32) CYP3A4TSHRATMTDP1KDM4E
SCHEMBL21111948 0.67 ALDH1A1 (0.50) ERAP2LNPEPCYP3A4TSHRATM
SCHEMBL30529344 0.67 CYP3A4 (0.48) CYP3A4TSHRATMTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 — — US disclosed
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 — — 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 (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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 ERAP2 1541/4885LNPEP 766/4885NPC1 50/4885
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 ERAP2 1541/4885LNPEP 766/4885NPC1 50/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 ERAP2 1541/4885LNPEP 766/4885NPC1 50/4885

“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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