Sugi Predict

Sugi Predict / Compounds / SCHEMBL3307612

SCHEMBL3307612

SCHEMBL3307612

CC1(C)COc2c(C=O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 8/20 0.38
▸ PTGS2 P35354 8/20 0.38
▸ ALOX5 P09917 5/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ ERN1 O75460 2/20 0.33
▸ KCNJ1 P48048 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ TLR6 Q9Y2C9 1/20 0.33

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
SCHEMBL6344037 0.83 MEN1 (0.34) PTGS1PTGS2MEN1LMNATHRB
SCHEMBL3520317 0.80 MEN1 (0.32) MEN1LMNATHRBBLMKMT2A
SCHEMBL15328737 0.77 RXRA (0.44) MEN1LMNAKMT2AALDH1A1TLR2
SCHEMBL6153467 0.76 ERN1 (0.37) PTGS1PTGS2ALOX5ERN1
SCHEMBL12035872 0.76 ERN1 (0.40) PTGS1PTGS2ALOX5TDP1ERN1
SCHEMBL12678908 0.75 PTGS1 (0.38) PTGS1PTGS2ALOX5HTR1A
SCHEMBL22650791 0.74 PTGS1 (0.36) PTGS1PTGS2ALOX5HTR1A
SCHEMBL20524919 0.72 PTGS1 (0.52) PTGS1PTGS2ALOX5MEN1KMT2A
SCHEMBL4234943 0.72 KDM4E (0.36) MEN1LMNATHRBBLMKMT2A
SCHEMBL15339580 0.71 HTR1A (0.41) PTGS1PTGS2ALOX5ALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 — — US disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 — — US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 — — US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 — — US disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 — — EP disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 — — CN disclosed
US-20200109130-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-09 — — US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 — — US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 — — US disclosed
CN-106986863-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2019-12-31 — — CN disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
EP-2064180-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-06-03 — — EP disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 — — WO disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 — — 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 (6 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-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PTGS1 1951/4885PTGS2 2079/4885ALOX5 4695/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK PTGS1 1951/4885PTGS2 2079/4885ALOX5 4695/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PTGS1 1951/4885PTGS2 2079/4885ALOX5 4695/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L PTGS1 1798/4885PTGS2 2643/4885ALOX5 364/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PTGS1 1951/4885PTGS2 2079/4885ALOX5 4695/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK PTGS1 1951/4885PTGS2 2079/4885ALOX5 4695/4885

“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.