SCHEMBL21502002

SCHEMBL21502002

CC(C)Cc1ccc(C(=O)NC(C)C)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
ANPEP P15144 1/20 0.41
ERN1 O75460 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDK2 Q15119 1/20 0.41
FDPS P14324 1/20 0.41
PPARG P37231 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL23634206 0.84 TAS1R3 (0.51) MLYCDTAS1R3TAS1R1NPSR1LMNA
SCHEMBL3495778 0.83 DPP4 (0.53) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL3128273 0.81 EPHX2 (0.50) LMNAHPGDMEN1CRHBPHTT
SCHEMBL31079673 0.80 MLYCD (0.54) MLYCDTAS1R3TAS1R1NPSR1LMNA
SCHEMBL13146304 0.80 MLYCD (0.54) MLYCDTAS1R3TAS1R1NPSR1LMNA
SCHEMBL25017929 0.80 HRH4 (0.43) LMNAHPGDMEN1CRHBPHTT
SCHEMBL13328614 0.79 CA12 (0.51) LMNAALDH1A1MEN1HTTKMT2A
SCHEMBL24807347 0.78 MLYCD (0.43) MLYCDNPSR1LMNAALDH1A1CYP1A2
SCHEMBL21240057 0.78 MLYCD (0.49) MLYCDTAS1R3TAS1R1NPSR1LMNA
SCHEMBL3755988 0.78 HDAC1 (0.67) MLYCDTAS1R3TAS1R1NPSR1LMNA

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-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US 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 (4 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MLYCD 2743/4885TAS1R3 3945/4885TAS1R1 2911/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MLYCD 2743/4885TAS1R3 3945/4885TAS1R1 2911/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MLYCD 2743/4885TAS1R3 3945/4885TAS1R1 2911/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MLYCD 2743/4885TAS1R3 3945/4885TAS1R1 2911/4885

“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.