SCHEMBL5763207

SCHEMBL5763207

CC(C)(C)ON(C=O)CC1CCC(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
TAS2R14 Q9NYV8 8/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL5763205 1.00 PLG (0.40) PLGPLATLMNAKMT2ASMN1; SMN2
SCHEMBL25345937 0.86 BTK (0.31) BTK
SCHEMBL5548176 0.83 NR1H2 (0.36)
SCHEMBL5549776 0.80
SCHEMBL5335883 0.80
SCHEMBL7275858 0.77
SCHEMBL5777420 0.76 EP300 (0.36) ANPEP
SCHEMBL7772120 0.76
SCHEMBL3229403 0.72 PLG (0.34) PLGPLATLMNAKMT2ATAS2R14
SCHEMBL5024028 0.71 KMT2A (0.48) PLGPLATLMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458683-B1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7015325-B2 Tryptase inhibitors ALTANA PHARMA AG (DE) 2006-03-21 US disclosed
US-7012077-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-6960588-B1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2005-11-01 US disclosed
EP-1458683-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP disclosed
EP-1244643-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-06-16 EP disclosed
US-20030186984-A1 Substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. 2003-10-02 US disclosed
WO-2003053933-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO disclosed
US-20030083344-A1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2003-05-01 US disclosed
EP-1244643-A1 TRYPTASE INHIBITORS ALTANA Pharma AG (DE) 2002-10-02 EP disclosed
EP-1216236-A1 TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-06-26 EP disclosed
EP-0714299-B1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-04-24 EP disclosed
WO-2001046168-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-06-28 WO disclosed
WO-2001019809-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-22 WO disclosed
US-5665719-A Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 1997-09-09 US disclosed
US-5166403-A Liquid crystals SHOWA DENKO K.K. (JP) 1992-11-24 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-20030186984-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 PLG 3602/4885PLAT 4131/4885LMNA 794/4885
US-20030083344-A1 Tryptase inhibitors TPSAB1, TPSB2, TPSG1 PLG 1077/4885PLAT 570/4885LMNA 1803/4885

“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.