SCHEMBL14691381

SCHEMBL14691381

CC1(C)c2cc(Br)ccc2-c2ccc(C(=O)CBr)cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.51
▸ PTPN1 P18031 6/20 0.41
▸ GNG2 P59768 1/20 0.36
▸ GNB1 P62873 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ PDK2 Q15119 1/20 0.35

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
SCHEMBL21551956 0.88 MAPT (0.39) GSK3BUSP2F2L3MBTL1ALDH1A1
SCHEMBL18129375 0.86 GSK3B (0.53) GSK3BPTPN1ALDH1A1HPGDSRD5A1
SCHEMBL15083844 0.86 GSK3B (0.53) GSK3BPTPN1ALDH1A1HPGDSRD5A1
SCHEMBL21551963 0.85 HSD17B3 (0.42) USP2F2L3MBTL1ALDH1A1HPGD
SCHEMBL5215126 0.85 PTPN1 (0.49) GSK3BPTPN1PDK2
SCHEMBL21551942 0.83 HSD17B3 (0.45) ALDH1A1
SCHEMBL21333830 0.83 SRD5A2 (0.53) HPGDSRD5A1SRD5A2PDK2
SCHEMBL4998169 0.83 MAPT (0.47) ALDH1A1HPGDSRD5A1SRD5A2PDK2
SCHEMBL16868667 0.80 GSK3B (0.46) GSK3BPTPN1USP2F2L3MBTL1
SCHEMBL16868638 0.80 GSK3B (0.46) GSK3BPTPN1USP2F2L3MBTL1

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
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — US disclosed
WO-2013021344-A1 IMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS LUPIN LIMITED (IN) 2013-02-14 — — WO disclosed
WO-2013021344-A1 IMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS LUPIN LIMITED (IN) 2013-02-14 — — 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC GSK3B 591/4885PTPN1 417/4885GNG2 3377/4885

“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.

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