Sugi Predict

Sugi Predict / Compounds / SCHEMBL6758987

SCHEMBL6758987

SCHEMBL6758987

C[C@]1(O)C[C@@H](C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ FABP7 O15540 1/20 0.47
▸ FABP5 Q01469 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ HTR2C P28335 1/20 0.43

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
SCHEMBL1907855 1.00 ALDH1A1 (0.50) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL6876401 1.00 ALDH1A1 (0.50) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL6758990 0.89 ALDH1A1 (0.51) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL15289517 0.86 ALDH1A1 (0.49) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL15270499 0.86 ALDH1A1 (0.49) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL16118741 0.85 TSHR (0.48) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL16118742 0.85 TSHR (0.48) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL18317080 0.85 TSHR (0.48) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL23950204 0.85 ALDH1A1 (0.47) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL28378581 0.85 BACE1 (0.50) ALDH1A1HPGDTSHRFABP7FABP5

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 — — EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 — — EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 — — US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 — — US disclosed
US-8877796-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-04 — — US disclosed
US-20140148494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-29 — — US disclosed
US-8680132-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-25 — — US disclosed
US-20130296303-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 — — US disclosed
US-8518984-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-08-27 — — US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — US disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — WO disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — US disclosed
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-17 — — US disclosed
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-12 — — 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 (7 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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885HPGD 3868/4885TSHR 4427/4885
US-20110112052-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ALDH1A1 1498/4885HPGD 677/4885TSHR 2230/4885
US-20140148494-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ALDH1A1 1498/4885HPGD 677/4885TSHR 2230/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 ALDH1A1 3966/4885HPGD 3868/4885TSHR 4427/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ALDH1A1 3872/4885HPGD 3907/4885TSHR 4357/4885
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ALDH1A1 1498/4885HPGD 677/4885TSHR 2230/4885
US-20130296303-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 ALDH1A1 1498/4885HPGD 677/4885TSHR 2230/4885

“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.