SCHEMBL1676910

SCHEMBL1676910

CCCOc1ccc(F)c(OBOc2cc(OCCC)ccc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
KMT2A Q03164 3/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL16991113 0.86 NQO1 (0.45) KAT6AMAPTKMT2AFFAR1PPARD
SCHEMBL177285 0.80 MAPT (0.40) LTA4HMAPTHTR1AHTR1BKMT2A
SCHEMBL2212307 0.78 LTA4H (0.46) KAT6ACA12CA1CA2CA7
SCHEMBL1286402 0.77 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL4058508 0.76 PDE3B (0.40) CA12CA1CA2CA7CA9
SCHEMBL3922566 0.76 HTT (0.45) MAPTCYP1A2CYP2D6CYP2C19TDP1
SCHEMBL23473367 0.75 PTGS1 (0.45) KAT6ACA12CA1CA2CA7
SCHEMBL29177239 0.75 KAT6A (0.44) KAT6AMAPTKMT2AMCL1FFAR1
SCHEMBL3707799 0.74 LTA4H (0.53) CA12CA1CA2CA7CA9
SCHEMBL24429662 0.74 MAPT (0.55) KAT6ACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE KAT6A 4168/4885CA12 782/4885CA1 621/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE KAT6A 4168/4885CA12 782/4885CA1 621/4885

“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.