SCHEMBL3055904

SCHEMBL3055904

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.42
DPP4 P27487 4/20 0.41
DPP8 Q6V1X1 4/20 0.41
DPP9 Q86TI2 4/20 0.41
LNPEP Q9UIQ6 1/20 0.40
ERAP2 Q6P179 1/20 0.36
TSHR P16473 2/20 0.35
BIRC2 Q13490 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DPP7 Q9UHL4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CTSD P07339 2/20 0.31
BACE1 P56817 1/20 0.31
SLC15A1 P46059 1/20 0.31

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
SCHEMBL27436596 0.88 DPP4 (0.55) DPP4DPP8DPP9LNPEPERAP2
SCHEMBL30414989 0.84 DPP8 (0.43) DPP4DPP8DPP9LNPEPERAP2
SCHEMBL29729306 0.80 SLC1A1 (0.42) SLC1A1DPP4DPP8DPP9CTSD
SCHEMBL27431340 0.78 CD274 (0.42) DPP4DPP8DPP9LNPEPERAP2
SCHEMBL27183214 0.78 LNPEP (0.39) DPP4DPP8DPP9LNPEPERAP2
SCHEMBL8213148 0.78 LNPEP (0.39) DPP4DPP8DPP9LNPEPERAP2
SCHEMBL14155398 0.76 SLC1A1 (0.53) SLC1A1DPP4DPP8DPP9TSHR
SCHEMBL13379935 0.76 BIRC2 (0.33) TSHRBIRC2CA12CA1CA2
SCHEMBL131050 0.76 SLC1A1 (0.55) SLC1A1TSHRCA12CA1CA2
SCHEMBL131049 0.76 SLC1A1 (0.55) SLC1A1TSHRCA12CA1CA2

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 6 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-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 SLC1A1 879/4885DPP4 1684/4885DPP8 3181/4885

“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.