SCHEMBL3170237

SCHEMBL3170237

CCOP(=O)(OCC)C(Cl)(CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.35
PPARD Q03181 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL11430886 0.79 TP53 (0.41) TP53TDP1CYP3A4CYP2C9CYP2C19
SCHEMBL8820544 0.75 TSHR (0.39) TP53TDP1CYP3A4CYP2C9CYP2C19
SCHEMBL2079486 0.75 TSHR (0.39) TP53TDP1CYP3A4CYP2C9CYP2C19
SCHEMBL1749816 0.74 TP53 (0.37) TP53TDP1CYP3A4CYP2C9CYP2C19
SCHEMBL11872271 0.74 TSHR (0.34) TP53TDP1CYP3A4CYP2C9CYP2C19
SCHEMBL7490235 0.73 TSHR (0.37) TP53TDP1CYP3A4CYP2C9CYP2C19
SCHEMBL14105288 0.72 TSHR (0.40) TP53TDP1CYP3A4CYP2C9CYP2C19
SCHEMBL905270 0.72 TSHR (0.36) TP53TDP1TSHRSMN1; SMN2PPARD
SCHEMBL6553791 0.72 TSHR (0.36) TP53TDP1CYP3A4CYP2C9CYP2C19
SCHEMBL4283889 0.72 TP53 (0.34) TP53TDP1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159961-A1 BIOSYNTHESIS OF CHEMICALLY DIVERSIFIED NON-NATURAL TERPENE PRODUCTS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-05-25 US disclosed
US-7649093-B2 (2E)-3-[4-[(6-hydroxy-3-methyl-2-phenyl-1-naphthalenyl)oxy]-2-(trifluoromethyl)phenyl]-2-propenoic acid; menopausal or postmenopausal disorders, vasomotor symptoms, vaginal atrophy, atrophic vaginitis, endometriosis, female sexual dysfunction, breast cancer, depression, diabetes, osteoporosis Glaxo Smith Kline LLC (US) 2010-01-19 US disclosed
US-20070276000-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2007-11-29 US disclosed
EP-1150980-B1 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-08-22 EP disclosed
EP-1773750-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-18 EP disclosed
WO-2006002185-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-05 WO disclosed
US-20050187270-A1 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-25 US disclosed
US-6930102-B2 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use SCHERING AG (DE) 2005-08-16 US disclosed
US-20040058969-A1 Novel epothilone derivatives, method for the preparation thereof and their pharmaceutical use SCHERING AG (DE) 2004-03-25 US disclosed
US-20040014978-A1 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use SCHERING AG (DE) 2004-01-22 US disclosed
US-6610736-B1 Antitumor SCHERING AG (DE) 2003-08-26 US disclosed
EP-1150980-A2 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-07 EP disclosed
WO-2000049021-A2 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-24 WO disclosed
EP-0912511-A1 5-INDOLYL-2,4-PENTADIENOIC ACID DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION Smithkline Beecham S.p.A. (IT) 1999-05-06 EP disclosed
WO-1998001423-A1 5-INDOLYL-2,4-PENTADIENOIC ACID DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION SMITHKLINE BEECHAM S.P.A. (IT) 1998-01-15 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 (5 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-20230159961-A1 BIOSYNTHESIS OF CHEMICALLY DIVERSIFIED NON-NATURAL TERPENE PRODUCTS GGPS1, DHPS, FDPS TP53 2052/4885TDP1 2584/4885CYP3A4 19/4885
US-20040014978-A1 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use EPOR, CYP2F1, REV1 TP53 4227/4885TDP1 3990/4885CYP3A4 91/4885
US-20050187270-A1 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use ABCB1, UGT2B17, CYP7B1 TP53 3641/4885TDP1 4490/4885CYP3A4 50/4885
US-20070276000-A1 CHEMICAL COMPOUNDS GPER1, ESR2, ESR1 TP53 1759/4885TDP1 4261/4885CYP3A4 318/4885
US-20040058969-A1 Novel epothilone derivatives, method for the preparation thereof and their pharmaceutical use TUBA1C, TUBB1, MALT1 TP53 826/4885TDP1 2607/4885CYP3A4 1145/4885

“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.