SCHEMBL2350269

SCHEMBL2350269

CCCCCCOc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)no2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.61
CYP1A2 P05177 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALPL P05186 1/20 0.53
FAAH O00519 1/20 0.52
RARB P10826 3/20 0.52
CXCR1 P25024 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 2/20 0.48
PLA2G2A P14555 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NFKB1 P19838 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
SCHEMBL2356088 1.00 SMPD1 (0.61) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL5147869 0.99 SMPD1 (0.63) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL7333704 0.99 SMPD1 (0.63) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2351006 0.97 SMPD1 (0.65) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL6132232 0.92 SMPD1 (0.57) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL6132917 0.92 SMPD1 (0.57) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2354881 0.90 RARB (0.67) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12243204 0.90 SMPD1 (0.60) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12243188 0.90 SMPD1 (0.60) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12243181 0.90 SMPD1 (0.60) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19

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
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 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
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

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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 SMPD1 148/4885CYP1A2 4371/4885CYP19A1 3018/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SMPD1 445/4885CYP1A2 4095/4885CYP19A1 2509/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SMPD1 445/4885CYP1A2 4095/4885CYP19A1 2509/4885

“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.