SCHEMBL6479010

SCHEMBL6479010

COC(=O)c1cc(C#CCCO)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.55
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
PTGS2 P35354 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
EGFR P00533 3/20 0.42
NOX4 Q9NPH5 1/20 0.42
HNF4A P41235 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
XDH P47989 1/20 0.38
PTPRC P08575 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
SCHEMBL10424172 0.85 PTPN11 (0.50) PTPN11CA12CA1CA2CA7
SCHEMBL20772338 0.83 PTPRC (0.40) PTPN11CA12CA1CA2CA7
SCHEMBL8206002 0.80 PTPN11 (0.66) PTPN11CA12CA1CA2CA7
SCHEMBL22906952 0.80 PTPN11 (0.40) PTPN11CA12CA1CA2CA7
SCHEMBL7703308 0.79 PTPN11 (0.68) PTPN11CA12CA1CA2CA7
SCHEMBL6488780 0.78 ALDH1A1 (0.42) PTPN11LMNAEGFRGAAHPGD
SCHEMBL3458276 0.77 PTPN11 (0.51) PTPN11CA12CA1CA2CA7
SCHEMBL7914505 0.77 PTPN11 (0.65) PTPN11CA12CA1CA2CA7
SCHEMBL8058019 0.77 PTPN11 (0.58) PTPN11CA12CA1CA2CA7
SCHEMBL22906997 0.76 PTPN11 (0.44) PTPN11CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894059-B1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. (BE) 2005-05-17 US disclosed
EP-1165533-B1 COMPOUNDS AND METHODS FOR TREATMENT OF ASTHMA, ALLERGY AND INFLAMMATORY DISORDERS UCB SA (BE) 2004-10-13 EP disclosed
US-6797713-B2 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. (BE) 2004-09-28 US disclosed
EP-1418173-A1 N-(3-butyn-1-yl) N-hydroxyurea UCB, S.A. (BE) 2004-05-12 EP disclosed
US-20040048875-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. 2004-03-11 US disclosed
US-6686502-B1 N-HYDROXYL-N-(3-BUTYNYL)-UREA CHEMICAL INTERMEDIATE FOR PIPERIDINE OR PIPERAZINE DERIVATIVES UCB S.A. (BE) 2004-02-03 US disclosed
US-20030220347-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders UCB S.A. 2003-11-27 US disclosed
US-6451801-B1 1,4-SUBSTITUTED PIPERIDINES AND PIPERAZINES UCB, S.A. (BE) 2002-09-17 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-20030220347-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders HRH4, HRH2, HRH3 PTPN11 1367/4885CA12 2430/4885CA1 1707/4885
US-20040048875-A1 Compounds and methods for treatment of asthma, allergy and inflammatory disorders HRH4, HRH2, HRH3 PTPN11 1367/4885CA12 2430/4885CA1 1707/4885

“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.