SCHEMBL3383789

SCHEMBL3383789

C[C@H](NC(=O)[C@@H](CCC(=O)NC[C@@H](O)CP(=O)(O)CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
REN P00797 8/20 0.37
METAP2 P50579 1/20 0.35
KMT2A Q03164 1/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
CAPN1 P07384 1/20 0.33

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
SCHEMBL3386405 0.84 REN (0.43) CTSSRENBCHEACHE
SCHEMBL3386397 0.84 REN (0.43) CTSSRENBCHEACHE
SCHEMBL3386550 0.81 CYP1A2 (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL3386548 0.81 CYP1A2 (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL3386554 0.81 CYP1A2 (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL3383794 0.78 HDAC4 (0.39) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL3382009 0.76 CYP1A2 (0.41) CYP1A2CYP3A4METAP2BCHE
SCHEMBL82825 0.76 CYP1A2 (0.41) CYP1A2CYP3A4METAP2BCHE
SCHEMBL3381445 0.69 CYP1A2 (0.45) CYP1A2CYP3A4RENMETAP2BCHE
SCHEMBL7500845 0.69 CYP1A2 (0.45) CYP1A2CYP3A4RENMETAP2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828974-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2014-09-09 US disclosed
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2012-08-16 US disclosed
US-8183231-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2012-05-22 US disclosed
EP-1765850-B1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMA INC (US) 2010-12-01 EP disclosed
EP-1765850-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES Aventis Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
US-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
WO-2005118618-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2005-12-15 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-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CTSS 3048/4885CTSK 3939/4885HDAC4 4455/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CTSS 3048/4885CTSK 3939/4885HDAC4 4455/4885

“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.