SCHEMBL52394

SCHEMBL52394

COC(=O)N1CC(C)(C)N(Cc2ccc(OC)cc2)S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CACNA1H O95180 1/20 0.41
PKM P14618 1/20 0.41
MMP1 P03956 4/20 0.40
MMP13 P45452 4/20 0.40
MMP9 P14780 3/20 0.40
MMP2 P08253 2/20 0.40
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CMA1 P23946 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ADAM17 P78536 1/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 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
SCHEMBL52019 0.69 HTR5A (0.47) ALOX12KDM4ECMA1SMN1; SMN2MAPT
SCHEMBL20303778 0.63 LMNA (0.57) LMNAALOX12CMA1MAPT
SCHEMBL16468033 0.63 GAA (0.47) LMNAMMP1MMP13HTTKDM4E
SCHEMBL20303867 0.63 LMNA (0.46) LMNAMMP1MMP13HTTALOX12
SCHEMBL30841979 0.62 MEN1 (0.46) ALOX12KDM4ECMA1SMN1; SMN2MAPT
SCHEMBL11813133 0.62 SIGMAR1 (0.47) ALOX12KDM4ECMA1SMN1; SMN2MAPT
SCHEMBL28850182 0.61 KDM4E (0.40) LMNAHTTALOX12KDM4ECMA1
SCHEMBL17035198 0.61 AR (0.50) MMP1MMP13CMA1MAPT
SCHEMBL14687374 0.61 GAA (0.57) MMP1MMP13ALOX12CMA1SMN1; SMN2
SCHEMBL24576223 0.60 NPC1 (0.71) PKMHTTKDM4ESMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG LMNA 1838/4885CACNA1H 3346/4885PKM 2659/4885

“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.