SCHEMBL3042479

SCHEMBL3042479

CCN(c1cccc(B(O)O)c1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ESR1 P03372 2/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP2 Q13822 2/20 0.39
PER2 O15055 1/20 0.38

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
SCHEMBL1783862 0.80 ENPP2 (0.42) ALDH1A1LPLLIPGENPP2
SCHEMBL14469869 0.79 RORC (0.45) RORCALDH1A1ESR1POLBLMNA
SCHEMBL5175108 0.79 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2
SCHEMBL28807357 0.79 ALDH1A1 (0.56) ALDH1A1POLBLMNARECQLPER2
SCHEMBL2696214 0.77 POLB (0.61) ALDH1A1POLBLMNARECQLSMN1; SMN2
SCHEMBL1047734 0.76 ALDH1A1 (0.58) ALDH1A1LPLLIPGSMN1; SMN2ENPP2
SCHEMBL4428801 0.76 POLB (0.42) RORCALDH1A1ESR1POLBLMNA
SCHEMBL1883486 0.75 GAA (0.60) ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL19492621 0.75 LPL (0.45) ALDH1A1LPLLIPGENPP2
SCHEMBL4554082 0.74 TSHR (0.56) ALDH1A1ESR1POLBLMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (2 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 RORC 1313/4885ALDH1A1 4068/4885ESR1 950/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 RORC 1313/4885ALDH1A1 4068/4885ESR1 950/4885

“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.