SCHEMBL17006178

SCHEMBL17006178

CC(O)CCCCOC1(C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
GPR119 Q8TDV5 8/20 0.37
ALOX15 P16050 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NR1H2 P55055 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL17006179 1.00 USP2 (0.38) USP2SMN1; SMN2TSHRGPR119ALOX15
SCHEMBL17019232 0.91 USP2 (0.39) USP2SMN1; SMN2TSHRGPR119ALOX15
SCHEMBL17022203 0.84 GPR119 (0.36) USP2SMN1; SMN2TSHRGPR119ALOX15
SCHEMBL17006209 0.83 USP2 (0.43) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL17006175 0.83 ALDH1A1 (0.30)
SCHEMBL17006221 0.82 USP2 (0.40) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL17006104 0.80 USP2 (0.43) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL25986202 0.80 USP2 (0.45) USP2SMN1; SMN2GPR119DDB1CRBN
SCHEMBL17006159 0.79 TSHR (0.42) SMN1; SMN2TSHRGPR119ALOX15ATM
SCHEMBL17006158 0.79 TSHR (0.42) SMN1; SMN2TSHRGPR119ALOX15ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107918-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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 (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-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS USP2 3824/4885SMN1; SMN2 3448/4885TSHR 4683/4885

“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.