SCHEMBL29452725

SCHEMBL29452725

C[C@H](NC(=O)c1cnc(-c2cccc(-c3n[nH]c(C(=O)O)n3)c2)o1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ LDHB P07195 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ IDH1 O75874 2/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ MDM2 Q00987 4/20 0.34
▸ CPT2 P23786 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ PRKD1 Q15139 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL23041468 1.00 MME (0.37) MMELDHALDHBJAK2JAK1
SCHEMBL23041470 1.00 MME (0.37) MMELDHALDHBJAK2JAK1
SCHEMBL29452700 0.92 JAK2 (0.35) MMEJAK2JAK1JAK3IDO1
SCHEMBL28721010 0.92 JAK2 (0.35) MMEJAK2JAK1JAK3IDO1
Potassium Ion SCHEMBL29452712 0.92 IDH1 (0.34) MMELDHALDHBJAK2JAK1
SCHEMBL28721015 0.92 JAK2 (0.35) MMEJAK2JAK1JAK3IDO1
SCHEMBL23041484 0.84 MME (0.37) MMEUSP30CPT2CPT1A
SCHEMBL23041488 0.84 MME (0.37) MMEUSP30CPT2CPT1A
SCHEMBL23041379 0.83 MME (0.36) MMEJAK2JAK1JAK3IDO1
SCHEMBL23041380 0.83 MME (0.36) MMEJAK2JAK1JAK3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US disclosed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN 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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, TMEM161A, TMEM164 MME 4464/4885LDHA 4248/4885LDHB 4468/4885

“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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