SCHEMBL2354038

SCHEMBL2354038

CCCCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)no2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.63
RARB P10826 4/20 0.60
CXCR1 P25024 4/20 0.59
CYP1A2 P05177 1/20 0.59
CYP19A1 P11511 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
ABCB1 P08183 1/20 0.56
ABCC1 P33527 1/20 0.56
PLA2G4B P0C869 4/20 0.56
PTPN11 Q06124 1/20 0.54
PLA2G4A P47712 1/20 0.51

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
SCHEMBL2353533 0.98 RARB (0.64) SMPD1RARBCXCR1CYP1A2CYP19A1
SCHEMBL7403884 0.98 RARB (0.64) SMPD1RARBCXCR1CYP1A2CYP19A1
SCHEMBL2353001 0.96 RARB (0.67) SMPD1RARBCXCR1CYP1A2CYP19A1
SCHEMBL12243285 0.96 RARB (0.67) SMPD1RARBCXCR1CYP1A2CYP19A1
SCHEMBL2354881 0.96 RARB (0.67) SMPD1RARBCXCR1CYP1A2CYP19A1
Ammonia Solution, Strong SCHEMBL17822400 0.96 RARB (0.63) SMPD1RARBCXCR1CYP1A2CYP19A1
SCHEMBL5148937 0.96 RARB (0.63) SMPD1RARBCXCR1CYP1A2CYP19A1
SCHEMBL12243215 0.90 SMPD1 (0.63) SMPD1CXCR1CYP1A2CYP19A1CYP2C9
SCHEMBL6132946 0.90 CXCR1 (0.56) SMPD1RARBCXCR1TP53TSHR
SCHEMBL6132835 0.90 CXCR1 (0.56) SMPD1RARBCXCR1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016201283-A1 ANTIFUNGAL AGENTS CIDARA THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP disclosed
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
EP-2350119-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE Merlion Pharmaceuticals Pte Ltd. (SG) 2011-08-03 EP disclosed
WO-2010062264-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 WO disclosed
WO-2010062264-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 SMPD1 148/4885RARB 2792/4885CXCR1 301/4885

“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.