SCHEMBL2524929

SCHEMBL2524929

Cc1cccc2[nH]c(C(F)(F)c3nc4ccc(C(=O)NC(CP(=O)(O)O)C(=O)O)cc4n3C)nc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 6/20 0.51
TPSD1 Q9BZJ3 6/20 0.51
TPSG1 Q9NRR2 6/20 0.51
ACSS2 Q9NR19 13/20 0.41
PIN1 Q13526 1/20 0.36

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
SCHEMBL2524938 1.00 TPSAB1 (0.51) TPSAB1TPSD1TPSG1ACSS2PIN1
SCHEMBL2526178 0.82 PIN1 (0.41) ACSS2PIN1
SCHEMBL2526173 0.82 PIN1 (0.41) ACSS2PIN1
SCHEMBL2528847 0.73 PIN1 (0.39) TPSAB1TPSD1TPSG1ACSS2PIN1
SCHEMBL2528844 0.73 PIN1 (0.39) TPSAB1TPSD1TPSG1ACSS2PIN1
SCHEMBL7489855 0.71 PIN1 (0.46) ACSS2PIN1
Hydrochloric Acid SCHEMBL7478353 0.71 PIN1 (0.45) ACSS2PIN1
SCHEMBL4555853 0.70 F9 (0.31)
SCHEMBL7478923 0.69 TPSAB1 (0.39) TPSAB1TPSD1TPSG1ACSS2PIN1
SCHEMBL7482199 0.69 PIN1 (0.38) TPSAB1TPSD1TPSG1ACSS2PIN1

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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US claimed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH TPSAB1 1978/4885TPSD1 555/4885TPSG1 1834/4885

“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.