Sugi Predict

Sugi Predict / Compounds / SCHEMBL416036

SCHEMBL416036

SCHEMBL416036

CC(C)(C)[C@](C)(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD11B1 P28845 1/20 0.47
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2C19 P33261 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL14443430 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15HSD11B1ESR1ESR2
SCHEMBL3683859 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15HSD11B1ESR1ESR2
SCHEMBL1617443 0.88 ALDH1A1 (0.52) ALDH1A1ALOX15HSD11B1ESR1ESR2
SCHEMBL9888614 0.84 HSD11B1 (0.63) ALDH1A1ALOX15HSD11B1NR1H3TSHR
SCHEMBL5354310 0.84 HSD11B1 (0.63) ALDH1A1ALOX15HSD11B1NR1H3TSHR
SCHEMBL9888655 0.84 HSD11B1 (0.63) ALDH1A1ALOX15HSD11B1NR1H3TSHR
SCHEMBL4082774 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15HSD11B1ESR1ESR2
SCHEMBL28322741 0.82 ALDH1A1 (0.43) ALDH1A1ALOX15HSD11B1ESR1ESR2
SCHEMBL2858359 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15HSD11B1ESR1ESR2
SCHEMBL24425452 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 — — US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 — — US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 — — US disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 — — US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 — — US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 — — US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 — — US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 — — US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 — — US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — 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 (9 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 ALDH1A1 1216/4885ALOX15 1622/4885HSD11B1 1285/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ALDH1A1 3778/4885ALOX15 4485/4885HSD11B1 3959/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ALDH1A1 3778/4885ALOX15 4485/4885HSD11B1 3959/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD ALDH1A1 2218/4885ALOX15 1042/4885HSD11B1 553/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ALDH1A1 2218/4885ALOX15 1042/4885HSD11B1 553/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ALDH1A1 3140/4885ALOX15 2641/4885HSD11B1 20/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF ALDH1A1 3732/4885ALOX15 4005/4885HSD11B1 1790/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ALDH1A1 2218/4885ALOX15 1042/4885HSD11B1 553/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP ALDH1A1 2639/4885ALOX15 1821/4885HSD11B1 1333/4885

“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.