SCHEMBL3969368

SCHEMBL3969368

COC(=O)[C@H](Cc1ccc(OCc2ccc(C(C)(C)C)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
BCL2 P10415 1/20 0.56
PTPN1 P18031 3/20 0.54
YAP1 P46937 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
NR4A2 P43354 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
PPARG P37231 1/20 0.51
KLK5 Q9Y337 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
REN P00797 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL3969369 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1LMNABCL2
SCHEMBL3499574 0.91 MME (0.54) MEN1KMT2AALDH1A1LMNABCL2
SCHEMBL3499571 0.91 MME (0.54) MEN1KMT2AALDH1A1LMNABCL2
SCHEMBL18256512 0.91 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAITGB3
SCHEMBL3350988 0.90 BCL2 (0.64) MEN1KMT2AALDH1A1LMNABCL2
SCHEMBL3500186 0.90 BCL2 (0.64) MEN1KMT2AALDH1A1LMNABCL2
SCHEMBL3498509 0.90 BCL2 (0.56) MEN1KMT2AALDH1A1LMNABCL2
SCHEMBL6161729 0.90 BCL2 (0.64) MEN1KMT2AALDH1A1LMNABCL2
SCHEMBL3498507 0.90 BCL2 (0.56) MEN1KMT2AALDH1A1LMNABCL2
SCHEMBL3498036 0.89 BCL2 (0.56) BCL2PTPN1YAP1ITGB3ITGA2B

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
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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 (1 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 MEN1 4435/4885KMT2A 2042/4885ALDH1A1 322/4885

“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.