SCHEMBL201211

SCHEMBL201211

O=C(c1ccccc1)N(O)OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.45
▸ NR1H3 Q13133 2/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ MLYCD O95822 1/20 0.41
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CES2 O00748 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ DAO P14920 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37

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
SCHEMBL28730357 0.79 CES1 (0.44) CES1NR1H3NR1H2MLYCDF2
SCHEMBL202347 0.76 MEN1 (0.54) POLBALDH1A1TSHRSMN1; SMN2
SCHEMBL10776992 0.74 TSHR (0.50) CES1F2LMNAPOLBALDH1A1
SCHEMBL1601291 0.71 CES1 (0.52) CES1NR1H3NR1H2MLYCDPOLB
SCHEMBL27774491 0.71 CES1 (0.52) CES1NR1H3NR1H2MLYCDPOLB
SCHEMBL19483184 0.71 NR1I2 (0.45) NR1H3NR1H2MLYCDLMNAALDH1A1
SCHEMBL28730335 0.70 MLYCD (0.39) CES1NR1H3NR1H2MLYCDF2
SCHEMBL18690253 0.70 CES1 (0.48) CES1F2LMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL6506892 0.69 CES1 (0.50) CES1NR1H3NR1H2MLYCDPOLB
SCHEMBL3743764 0.69 CES1 (0.52) CES1F2LMNAPOLBALDH1A1

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
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 — — US disclosed
CN-113754575-B Method for synthesizing chiral tryptophan derivative 山东大学 2023-07-18 — — CN disclosed
CN-113754575-A Method for synthesizing chiral tryptophan derivative 山东大学 2021-12-07 — — CN disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 — — US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 — — US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 — — US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 — — US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 — — EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 — — US disclosed
EP-1996180-A1 ANTIBACTERIAL AGENTS Prolysis Limited (GB) 2008-12-03 — — EP disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 — — 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 (5 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 CES1 2297/4885NR1H3 389/4885NR1H2 186/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CES1 1137/4885NR1H3 755/4885NR1H2 519/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 CES1 2226/4885NR1H3 364/4885NR1H2 175/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CES1 1137/4885NR1H3 755/4885NR1H2 519/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CES1 1137/4885NR1H3 755/4885NR1H2 519/4885

“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.

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