SCHEMBL5211530

SCHEMBL5211530

NCc1cccc(C(=O)N(CC(=O)NCC2CCC(CN)CC2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.46
PRSS1 P07477 7/20 0.46
AVPR1B P47901 1/20 0.42
F2 P00734 1/20 0.41
ACHE P22303 1/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MAOA P21397 1/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PTGES O14684 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
SCHEMBL1623020 0.82 F10 (0.56) F10PRSS1F2KDM1ARCOR1
SCHEMBL1624321 0.78 F10 (0.51) F10PRSS1F2HDAC6
SCHEMBL5210877 0.77 ADRA2C (0.52) F2ACHECFDLOXL2
SCHEMBL1625149 0.76 ALDH1A1 (0.52) HDAC1HDAC6
SCHEMBL9152710 0.75 PTGIR (0.43) F10PRSS1HDAC1HDAC6
SCHEMBL1622251 0.74 F10 (0.47) F10PRSS1F2HDAC1HDAC6
SCHEMBL18901182 0.73 MEN1 (0.57) F10PRSS1MAOAHDAC1HDAC6
Trifluoroacetic Acid SCHEMBL5212474 0.73 CFD (0.44) F2CFDLOXL2
Trifluoroacetic Acid SCHEMBL5210679 0.72 CFD (0.46) F2CFD
Hydrochloric Acid SCHEMBL5217194 0.72 ACHE (0.43) ACHEKDM1ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP claimed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US claimed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US claimed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 F10 116/4885PRSS1 1/4885AVPR1B 2825/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 F10 149/4885PRSS1 2/4885AVPR1B 3543/4885

“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.