SCHEMBL23049844

SCHEMBL23049844

COC(=O)/C(=C/c1cc(C)c(C)cc1Cl)N=[N+]=[N-]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TNNI3 P19429 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ TNNT2 P45379 1/20 0.30
▸ KLK7 P49862 1/20 0.30
▸ TNNC1 P63316 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30

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
SCHEMBL24189621 0.85 ALPL (0.34) MAPTKMT2A
SCHEMBL30396858 0.85 ALPL (0.34) MAPTKMT2A
SCHEMBL29015360 0.85 ALPL (0.34) MAPTKMT2A
SCHEMBL30395299 0.84 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL30397150 0.84 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL29015399 0.84 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL26372679 0.84 GABRA1 (0.42) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL18990257 0.83 POLB (0.34) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL30267904 0.83 POLB (0.34) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL18990256 0.83 POLB (0.34) KDM4EALDH1A1LMNAMAPTKMT2A

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-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-19 — — US disclosed
US-20220008386-A1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-13 — — US disclosed
EP-3596064-B1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-03 — — EP 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 (2 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-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors PHGDH, G6PD, PHPT1 KDM4E 2891/4885ALDH1A1 168/4885LMNA 2204/4885
US-20220008386-A1 TOSYLACETATE BASED COMPOUNDS AND DERIVATIVES THEREOF AS PHGDH INHIBITORS PHGDH, G6PD, PHPT1 KDM4E 2891/4885ALDH1A1 168/4885LMNA 2204/4885

“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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