SCHEMBL2444857

SCHEMBL2444857

CC(C)(C)N(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
HIF1A Q16665 1/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 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
SCHEMBL9080141 0.89 ALDH1A1 (0.45) KMT2AMEN1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL16858007 0.86 KMT2A (0.46) KMT2AMEN1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL21874427 0.83 KMT2A (0.43) KMT2AMEN1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL9078636 0.83 NR1H4 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL10759779 0.81 HTT (0.44) ALDH1A1TSHRNPSR1HTT
SCHEMBL10354379 0.80 KEAP1 (0.54) KMT2AMEN1
SCHEMBL73858 0.80 L3MBTL1 (0.45) KMT2AMEN1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL2447967 0.79 LMNA (0.49)
SCHEMBL11793707 0.78 CYP2C19 (0.41) KMT2AMEN1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL13240334 0.78 MEN1 (0.42) KMT2AMEN1CYP2C19SMN1; SMN2CYP3A4

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-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-7553809-B2 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2009-06-30 US disclosed
US-20060057144-A1 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2006-03-16 US disclosed
US-6835753-B2 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt ILEXUS PTY LIMITED (AU) 2004-12-28 US disclosed
US-20020061844-A1 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt ILEXUS PTY LIMITED 2002-05-23 US disclosed
US-6355683-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE ILEXUS PTY LIMITED (AU) 2002-03-12 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-20020061844-A1 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt FCGR2A, FCGR1A, FCER2 KMT2A 2002/4885MEN1 4070/4885CYP2C19 573/4885
US-20060057144-A1 Fc receptor modulators and uses thereof FCGR1A, FCER2, FCGR2A KMT2A 3334/4885MEN1 3751/4885CYP2C19 1656/4885

“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.