SCHEMBL6132328

SCHEMBL6132328

CCC(CC)C(=O)OC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
SOAT1 P35610 1/20 0.31
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL6563244 0.98 CA1 (0.34) CA2CA1USP2TSHRSOAT1
SCHEMBL6567059 0.84 CA2 (0.56) CA2CA1USP2TSHRMAPK1
SCHEMBL6497837 0.80 CA2 (0.41) CA2CA1USP2TSHRSOAT1
SCHEMBL27897566 0.78 CA2 (0.39) CA2CA1USP2TSHRSOAT1
SCHEMBL247701 0.78 CA2 (0.44) CA2CA1USP2TSHRSOAT1
SCHEMBL6566785 0.77 CA1 (0.38) CA2CA1USP2TSHRSOAT1
SCHEMBL7923174 0.75 CA2 (0.39) CA2CA1USP2TSHRSOAT1
SCHEMBL30881127 0.72 CA2 (0.35) CA2CA1MAPK1
SCHEMBL7153541 0.72 LMNA (0.32) TSHRALDH1A1
SCHEMBL4631695 0.72 CA2 (0.40) CA2CA1USP2TSHRSOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
WO-2005005463-A1 ANTIFUNGAL CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC. (JP) 2005-01-20 WO disclosed
US-20050014685-A1 New compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 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 (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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 CA2 1899/4885CA1 2356/4885USP2 4776/4885
US-20050014685-A1 New compound MAN2B1, MAN2A1, MANBA CA2 1997/4885CA1 2958/4885USP2 4625/4885
US-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 CA2 1760/4885CA1 1819/4885USP2 4462/4885

“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.