SCHEMBL27196604

SCHEMBL27196604

CC1(CCC(=O)O)CNCCO1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28144913 0.84
SCHEMBL20858988 0.84 TSHR (0.33) CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28819130 0.82 TSHR (0.32) CYP1A2CYP2D6CYP2C9CYP2C19
Propionic Acid SCHEMBL28675728 0.80 HSD17B10 (0.34)
Acetic Acid SCHEMBL28667404 0.80 KDM4E (0.33)
SCHEMBL16401067 0.77 SLC6A2 (0.30)
Acetic Acid SCHEMBL5801691 0.77
SCHEMBL28966118 0.75
SCHEMBL28966116 0.75
SCHEMBL27596153 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease PFIZER INC. (US) 2024-04-18 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 (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-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease ITK, PDXK, HRH4 LMNA 3105/4885SLC15A2 3146/4885CYP1A2 103/4885

“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.