SCHEMBL23052228

SCHEMBL23052228

COC(=O)[C@@H](NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)NC(C4CC4)C4CC4)n(CCO)n3)c2)o1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 4/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ TACR3 P29371 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ MME P08473 2/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ AVPR1B P47901 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32

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
SCHEMBL28722775 1.00 PHGDH (0.34) PHGDHCNR2POLBTACR3ABCG2
SCHEMBL29452755 0.94 FAAH (0.34) PHGDHPOLBMMEAVPR1BMEN1
SCHEMBL23052223 0.94 FAAH (0.34) PHGDHPOLBMMEAVPR1BMEN1
SCHEMBL23041524 0.93 MME (0.37) PHGDHMMEPIN1HDAC3HDAC4
SCHEMBL23041526 0.93 MME (0.37) PHGDHMMEPIN1HDAC3HDAC4
SCHEMBL23052232 0.90 FAAH (0.34) PHGDHPOLBMMEAVPR1BHDAC3
SCHEMBL23052233 0.90 FAAH (0.34) PHGDHPOLBMMEAVPR1BHDAC3
SCHEMBL23051965 0.90 CNR2 (0.34) PHGDHCNR2POLBTACR3ABCG2
SCHEMBL28721016 0.90 CNR2 (0.34) PHGDHCNR2POLBTACR3ABCG2
SCHEMBL23052279 0.88 ALDH1A1 (0.34) PHGDHPOLBAVPR1BKDM4EALDH1A1

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 6 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 claimed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP claimed
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
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — 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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, TMEM161A, TMEM164 PHGDH 3383/4885CNR2 1166/4885POLB 4320/4885

“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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