SCHEMBL4135847

SCHEMBL4135847

CN(Cc1cc(-c2cccnc2F)cs1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.40
CTSD P07339 4/20 0.39
BACE1 P56817 4/20 0.39
BACE2 Q9Y5Z0 4/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
NAPRT Q6XQN6 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
AR P10275 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
METAP2 P50579 1/20 0.35
PDPK1 O15530 1/20 0.35
CYP11B2 P19099 1/20 0.34

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
SCHEMBL3645627 0.84 CTSD (0.38) DHODHCTSDBACE1BACE2GSK3B
SCHEMBL3645629 0.82 DHODH (0.36) DHODHCTSDBACE1BACE2GSK3B
SCHEMBL4131558 0.78 AR (0.36) DHODHNAPRTFFAR4ALDH1A1LMNA
SCHEMBL4135851 0.78 GSK3B (0.39) DHODHCTSDBACE1BACE2GSK3B
SCHEMBL4124015 0.77 GRM1 (0.40) DHODHNAPRTALDH1A1MAPT
SCHEMBL4130796 0.76 MGAM (0.36) DHODHDYRK1ANAPRTAR
SCHEMBL3645628 0.75 DYRK1A (0.40) DHODHCTSDBACE1BACE2GSK3B
SCHEMBL4119122 0.74 AR (0.33) DHODHGSK3BDYRK1ANAPRTFFAR4
SCHEMBL3799051 0.74 ALDH1A1 (0.35) DHODHDYRK1AALDH1A1AR
SCHEMBL4131192 0.73 CTSD (0.34) CTSDBACE1BACE2DYRK1AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 DHODH 1560/4885CTSD 264/4885BACE1 1566/4885

“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.