SCHEMBL1410084

SCHEMBL1410084

CCC(SC1CCN(c2cccc(C(F)(F)F)c2Cl)C1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.44
▸ P2RX7 Q99572 9/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ SLC6A9 P48067 2/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL1410450 0.83 NOTUM (0.40) NOTUMP2RX7HTR1DHTR1B
SCHEMBL1410120 0.81 LIPG (0.44) FFAR1
SCHEMBL2517376 0.80 NOTUM (0.48) NOTUMP2RX7
SCHEMBL1410330 0.80 NOTUM (0.59) NOTUMSLC6A9
SCHEMBL1410243 0.78 NOTUM (0.57) NOTUMSLC6A9
Potassium Ion SCHEMBL1409563 0.76 NOTUM (0.44) NOTUMP2RX7
SCHEMBL1410200 0.75 DPP4 (0.45) NOTUM
SCHEMBL1410383 0.72 NOTUM (0.49) NOTUMP2RX7FFAR1
SCHEMBL1410348 0.72 NOTUM (0.49) NOTUMP2RX7
SCHEMBL1410375 0.70 KDM4E (0.44) NOTUMP2RX7

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-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L NOTUM 874/4885P2RX7 802/4885EPHX2 254/4885

“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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