SCHEMBL3058483

SCHEMBL3058483

COC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)OC)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.41
▸ CTSS P25774 4/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ REN P00797 4/20 0.40
▸ CTSD P07339 1/20 0.40
▸ PSENEN Q9NZ42 5/20 0.40
▸ PSEN1 P49768 4/20 0.39
▸ PSEN2 P49810 4/20 0.39
▸ APH1B Q8WW43 4/20 0.39
▸ NCSTN Q92542 4/20 0.39
▸ APH1A Q96BI3 4/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39

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
SCHEMBL2408132 0.87 CTSK (0.55) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2408130 0.87 CTSK (0.55) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL14416977 0.83 PSENEN (0.42) CTSKCTSSRENCTSDPSENEN
SCHEMBL1763873 0.82 CYP1A2 (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2225458 0.82 CYP1A2 (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1317487 0.82 CYP1A2 (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL16383328 0.82 CTSK (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30407324 0.81 REN (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL10144106 0.81 PSENEN (0.45) CTSKCTSSRENCTSDPSENEN
SCHEMBL20732234 0.81 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704957-B2 Composition for inhibiting HIV activity extracted from Paecilomyces sp. (Tochu-kaso) J300 RURAL DEVELOPMENT ADMINISTRATION (KR) 2010-04-27 — — US disclosed
US-7704957-B2 Composition for inhibiting HIV activity extracted from Paecilomyces sp. (Tochu-kaso) J300 RURAL DEVELOPMENT ADMINISTRATION (KR) 2010-04-27 — — US disclosed
US-20040121963-A1 Composition for inhibiting hiv activity extracted from paecilomyces sp. (tochu-kaso) j300 RURAL DEVELOPMENT ADMINISTRATION (KR) 2004-06-24 — — US disclosed
EP-1389111-A1 COMPOSITION FOR INHIBITING HIV ACTIVITY EXTRACTED FROM i PAECILOMYCES SP. /i (TOCHU-KASO) J300 Republic of Korea (KR) 2004-02-18 — — EP disclosed
WO-2002080921-A1 COMPOSITION FOR INHIBITING HIV ACTIVITY EXTRACTED FROM PAECILOMYCES SP. (TOCHU-KASO) J300 REPUBLIC OF KOREA (KR) 2002-10-17 — — 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 (1 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-20040121963-A1 Composition for inhibiting hiv activity extracted from paecilomyces sp. (tochu-kaso) j300 KMO, JMJD1C, KYAT3 CTSK 4521/4885CTSS 4080/4885CYP1A2 1252/4885

“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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