SCHEMBL18556181

SCHEMBL18556181

O=C(O)C1CCCC1C(=O)c1cc(Cl)c(OCc2ccccc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.42
▸ SCN9A Q15858 5/20 0.42
▸ MRGPRX4 Q96LA9 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TRPM8 Q7Z2W7 4/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ SCN4A P35499 1/20 0.40
▸ SCN5A Q14524 1/20 0.40

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
SCHEMBL23861677 0.89 SCN9A (0.46) SCN9AMRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL21800837 0.89 SCN9A (0.40) S1PR5SCN9AMRGPRX4MEN1ALDH1A1
SCHEMBL18571141 0.88 BRD4 (0.41) SCN9ATRPM8BRD4
SCHEMBL18571134 0.86 SCN7A (0.44) RAB9AS1PR5SCN9AMRGPRX4MEN1
SCHEMBL21800830 0.86 SCN7A (0.44) RAB9AS1PR5SCN9AMRGPRX4MEN1
SCHEMBL18556179 0.86 SCN7A (0.44) RAB9AS1PR5SCN9AMRGPRX4MEN1
SCHEMBL23861668 0.86 SCN7A (0.44) RAB9AS1PR5SCN9AMRGPRX4MEN1
SCHEMBL18556036 0.85 MEN1 (0.46) RAB9AS1PR5SCN9AMRGPRX4MEN1
SCHEMBL30261516 0.80 MRGPRX4 (0.60) RAB9ASCN9AMRGPRX4MEN1KMT2A
SCHEMBL23861690 0.79 SCN9A (0.45) SCN9ASCN4ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-02-24 — — US disclosed
US-11130726-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-09-28 — — US disclosed
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-03-19 — — US disclosed
EP-3341353-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017035271-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-02 — — 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 (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-11130726-B2 Therapeutic compounds and methods of use thereof RDX, C3AR1, LPXN RAB9A 545/4885S1PR5 1322/4885SCN9A 1789/4885
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C3AR1, LPXN RAB9A 545/4885S1PR5 1322/4885SCN9A 1789/4885
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REN, RDX, MC2R RAB9A 752/4885S1PR5 495/4885SCN9A 2486/4885

“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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