SCHEMBL23857597

SCHEMBL23857597

O=CC1Cc2ccc(OCCNC(=O)O)c(Cl)c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PDE4A P27815 1/20 0.31

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
SCHEMBL30253378 0.86 CA12 (0.41) —
SCHEMBL23856370 0.86 CA12 (0.41) —
SCHEMBL23856950 0.84 KMT2A (0.38) KMT2AMEN1PKMSMN1; SMN2LMNA
SCHEMBL23857749 0.84 HPGD (0.33) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL23857668 0.81 NPC1 (0.30) RAB9ANPC1PTGS2
SCHEMBL23857616 0.79 SSTR4 (0.35) —
SCHEMBL23857634 0.78 SMN1; SMN2 (0.43) KMT2AMEN1PKMSMN1; SMN2LMNA
SCHEMBL30048263 0.78 SMN1; SMN2 (0.43) KMT2AMEN1PKMSMN1; SMN2LMNA
SCHEMBL23857244 0.77 NPC1 (0.36) PKMSMN1; SMN2LMNARAB9ANPC1
SCHEMBL23857721 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 — — EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 — — US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 — — EP disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 — — 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 KMT2A 3563/4885MEN1 1863/4885PKM 3448/4885

“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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