SCHEMBL6132835

SCHEMBL6132835

COCCCCCCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)no2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 7/20 0.56
SMPD1 P17405 1/20 0.54
RARB P10826 4/20 0.53
ABCB1 P08183 1/20 0.53
ABCC1 P33527 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 1/20 0.49
PTPN11 Q06124 1/20 0.48

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
SCHEMBL6132946 1.00 CXCR1 (0.56) CXCR1SMPD1RARBABCB1ABCC1
SCHEMBL6132917 0.91 SMPD1 (0.57) CXCR1SMPD1NPC1RAB9ATP53
SCHEMBL2354881 0.91 RARB (0.67) CXCR1SMPD1RARBABCB1ABCC1
SCHEMBL6132232 0.91 SMPD1 (0.57) CXCR1SMPD1NPC1RAB9ATP53
SCHEMBL12243285 0.91 RARB (0.67) CXCR1SMPD1RARBABCB1ABCC1
SCHEMBL2353001 0.91 RARB (0.67) CXCR1SMPD1RARBABCB1ABCC1
SCHEMBL2353533 0.90 RARB (0.64) CXCR1SMPD1RARBABCB1ABCC1
SCHEMBL7403884 0.90 RARB (0.64) CXCR1SMPD1RARBABCB1ABCC1
SCHEMBL2354038 0.90 SMPD1 (0.63) CXCR1SMPD1RARBABCB1ABCC1
Ammonia Solution, Strong SCHEMBL17822400 0.89 RARB (0.63) CXCR1SMPD1RARBABCB1ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 CXCR1 540/4885SMPD1 450/4885RARB 4644/4885

“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.