SCHEMBL7070911

SCHEMBL7070911

COc1ccc2c(c1)c(C[C@@H](C)CC(=O)O)c(C)n2Cc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.74
LMNA P02545 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 2/20 0.63
TSHR P16473 2/20 0.63
CYP2C19 P33261 2/20 0.63
PMP22 Q01453 2/20 0.63
KDM4E B2RXH2 1/20 0.63
BLM P54132 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MEN1 O00255 1/20 0.61
RGS12 O14924 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
PKM P14618 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
GNAI1 P63096 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL7070915 1.00 PTGS2 (0.74) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8875517 1.00 PTGS2 (0.74) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL29749112 1.00 PTGS2 (0.74) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL29454970 1.00 PTGS2 (0.74) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8879040 0.91 PTGS2 (0.67) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8878227 0.90 LMNA (0.63) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8879445 0.90 PTGS2 (0.65) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8876660 0.90 PTGS2 (0.65) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8877597 0.89 PTGS2 (0.72) PTGS2LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8876621 0.89 LMNA (0.61) PTGS2LMNACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350093-B2 Degradable implantable medical devices ELIXIR MEDICAL CORPORATION (US) 2019-07-16 US claimed
WO-1996037467-A1 N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-28 WO claimed
US-20200188142-A1 DEGRADABLE IMPLANTABLE MEDICAL DEVICES ELIXIR MEDICAL CORPORATION (US) 2020-06-18 US disclosed
US-10350093-B2 Degradable implantable medical devices ELIXIR MEDICAL CORPORATION (US) 2019-07-16 US disclosed
WO-2016177776-A1 BIOMARKERS FOR THE DETECTION OF ASPIRIN INSENSITIVITY ACADEMISCH MEDISCH CENTRUM (NL) 2016-11-10 WO disclosed
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same ENGLEBIENNE & ASSOCIATES (BE) 2009-08-06 US disclosed
US-7521435-B2 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PHARMA DIAGNOSTICS, N.V. (BE) 2009-04-21 US disclosed
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US disclosed
US-5639780-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-06-17 US disclosed
WO-1996037467-A1 N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-28 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 (3 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-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor BPGM, PLG, FGB PTGS2 372/4885LMNA 635/4885CYP1A2 3194/4885
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic EDNRA, EDNRB, ECE1 PTGS2 433/4885LMNA 3303/4885CYP1A2 1667/4885
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same PTGS2, PTGES2, PTGS1 PTGS2 1/4885LMNA 3292/4885CYP1A2 553/4885

“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.