SCHEMBL2438600

SCHEMBL2438600

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL3749007 0.87 SMN1; SMN2 (0.46) SMN1; SMN2POLBMMP2MMP9CA12
SCHEMBL8489619 0.77 CA12 (0.47) SMN1; SMN2POLBMMP2MMP9CA12
SCHEMBL2438598 0.75 SMN1; SMN2 (0.45) SMN1; SMN2MMP2MMP9LMNAPKM
SCHEMBL3186877 0.75 KMT2A (0.48) SMN1; SMN2POLBCA12CA9HDAC1
SCHEMBL3186901 0.75 KMT2A (0.48) SMN1; SMN2POLBCA12CA9HDAC1
SCHEMBL1058567 0.75 MMP9 (0.40) POLBMMP2MMP9HDAC1HDAC7
SCHEMBL8489201 0.74 MMP2 (0.43) SMN1; SMN2POLBMMP2MMP9CA12
SCHEMBL2909670 0.73 CYP3A4 (0.51) SMN1; SMN2POLBMMP2MMP9CA12
SCHEMBL8489260 0.72 HDAC7 (0.47) SMN1; SMN2MMP2MMP9HDAC1HDAC7
SCHEMBL4750336 0.72 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SMN1; SMN2 4444/4885POLB 733/4885MMP2 19/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP SMN1; SMN2 4444/4885POLB 733/4885MMP2 19/4885

“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.