SCHEMBL2157135

SCHEMBL2157135

CCC1(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
RECQL P46063 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 1/20 0.40
EPHX1 P07099 1/20 0.39
MMP2 P08253 2/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP14 P50281 1/20 0.39
NR1H2 P55055 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 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
SCHEMBL1292145 0.91 USP2 (0.46) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL3970403 0.91 PKM (0.49) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL963907 0.89 USP2 (0.47) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL28990172 0.87 CYP4F2 (0.49) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL965651 0.87 USP2 (0.51) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL3160087 0.87 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL28797839 0.87 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL28689933 0.87 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL28986539 0.87 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11RECQL
SCHEMBL17830841 0.86 USP2 (0.50) USP2SMN1; SMN2CYP4F2CYP4A11RECQL

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
CN-116113627-A Ji Yin-indolyl glucocorticoid receptor antagonists 科赛普特治疗公司 2023-05-12 CN disclosed
EP-2513110-B1 1,7-DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2018-12-05 EP disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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 (3 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-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B USP2 2239/4885SMN1; SMN2 2262/4885CYP4F2 4398/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B USP2 2239/4885SMN1; SMN2 2262/4885CYP4F2 4398/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B USP2 2239/4885SMN1; SMN2 2262/4885CYP4F2 4398/4885

“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.