SCHEMBL3749007

SCHEMBL3749007

CC(C)(C)[C@H](NCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ACHE P22303 4/20 0.44
POLB P06746 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL2438600 0.87 SMN1; SMN2 (0.42) SMN1; SMN2CA12CA9POLBMMP2
SCHEMBL2438598 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MMP2MMP9
SCHEMBL3186877 0.82 KMT2A (0.48) SMN1; SMN2KMT2ACA12CA9POLB
SCHEMBL3186901 0.82 KMT2A (0.48) SMN1; SMN2KMT2ACA12CA9POLB
SCHEMBL8489619 0.81 CA12 (0.47) SMN1; SMN2KMT2ACA12CA9POLB
SCHEMBL8489201 0.78 MMP2 (0.43) SMN1; SMN2CA12CA9POLBMMP2
SCHEMBL2909670 0.77 CYP3A4 (0.51) SMN1; SMN2KMT2ACA12CA9POLB
SCHEMBL1058567 0.76 MMP9 (0.40) KMT2APOLBMMP2MMP9HDAC1
SCHEMBL8489260 0.76 HDAC7 (0.47) SMN1; SMN2MMP2MMP9HDAC1HDAC7
SCHEMBL4750336 0.76 GLS (0.50) CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 SMN1; SMN2 4019/4885KMT2A 2273/4885CA12 3467/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP SMN1; SMN2 4444/4885KMT2A 4151/4885CA12 3198/4885

“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.