SCHEMBL6207718

SCHEMBL6207718

C[C@](N)(C(=O)O)c1cc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.51
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL21646058 1.00 BCL2L1 (0.51) BCL2L1CA2CA12CA1CA4
Hydrochloric Acid SCHEMBL838561 0.81 HDAC3 (0.44) BCL2L1CA2CA12CA1CA4
Hydrochloric Acid SCHEMBL837731 0.81 HDAC3 (0.44) BCL2L1CA2CA12CA1CA4
SCHEMBL6671285 0.78 BCL2L1 (0.50) BCL2L1CA2CA12CA1CA4
SCHEMBL354292 0.77 CYP2A6 (0.48) BCL2L1CA2CA12CA1CA9
SCHEMBL3624705 0.77 BCL2L1 (0.53) BCL2L1CA2CA12CA1CA4
SCHEMBL16009726 0.76 MGLL (0.52) BCL2L1CA2CA12CA1CA4
SCHEMBL820486 0.75 MGLL (0.50) BCL2L1CA2CA12CA1CA4
SCHEMBL13107533 0.74 ALOX5 (0.52) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10559613 0.74 ALOX5 (0.52) BCL2L1SLC9A1ALOX5CYP1A2PTGES

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
EP-1313736-B1 CONDENSED PYRAZINDIONE DERIVATIVES AS INHIBITORS OF PDE5 LILLY ICOS LLC (US) 2005-07-27 EP disclosed
US-6903099-B2 Condensed pyrazindione derivatives LILLY ICOS LLC (US) 2005-06-07 US disclosed
US-20030181457-A1 Chemical compounds LILLY ICOS LLC 2003-09-25 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-20030181457-A1 Chemical compounds ABCG2, SDHA, CYP11B1 BCL2L1 853/4885CA2 743/4885CA12 449/4885

“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.