SCHEMBL3120898

SCHEMBL3120898

CCOc1cc(C(=O)O)ccc1-n1cc(C(=O)O)nn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
NOTUM Q6P988 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3110531 0.89 BRD4 (0.43) LMNA
SCHEMBL3115960 0.80 CA1 (0.45) POLBNOTUMLMNA
SCHEMBL3107356 0.80 HPGD (0.46) LMNA
SCHEMBL3111738 0.78 LMNA (0.41) LMNA
SCHEMBL25049583 0.77 TSHR (0.49) TSHRPOLBCASP6MRGPRX4LMNA
SCHEMBL25046974 0.76 TSHR (0.51) TSHRPOLBCASP6MRGPRX4LMNA
SCHEMBL3112409 0.75 BRD4 (0.54)
SCHEMBL25049457 0.75 TSHR (0.50) TSHRPOLBCASP6MRGPRX4LMNA
SCHEMBL3113668 0.75 NOTUM (0.39) NOTUM
SCHEMBL3110302 0.74 ACKR3 (0.43) LMNA

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 TSHR 53/4885POLB 3558/4885CASP6 1790/4885

“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.