SCHEMBL112346

SCHEMBL112346

COc1ccc(F)c(C)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
RAB9A P51151 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
TPMT P51580 1/20 0.43
FABP4 P15090 2/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL24717393 0.85 RAB9A (0.51) CA12CA1CA2CA7CA9
SCHEMBL11906262 0.84 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL31022830 0.84 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL5356037 0.84 KDM4E (0.51) CA12CA1CA2CA7CA9
SCHEMBL4992986 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
Hydrogen Peroxide SCHEMBL28069523 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL27302866 0.81 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL31643624 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL22090445 0.80 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL6302351 0.80 FABP3 (0.44) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
WO-2023027948-A1 JAK2 INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
CN-115448849-B Preparation method of 2-benzyloxy-3-dibenzylamino-5-fluoro-6-methylbenzoic acid phenyl ester 苏州富士莱医药股份有限公司 2023-02-03 CN disclosed
CN-115448849-A Preparation method of 2-benzyloxy-3-dibenzylamino-5-fluoro-6-methyl benzoate 苏州富士莱医药股份有限公司 2022-12-09 CN disclosed
US-20210122709-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2021-04-29 US disclosed
US-20200055813-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2020-02-20 US disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20190002398-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-01-03 US disclosed
EP-2424834-B1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THEREOF HARVARD COLLEGE (US) 2018-07-11 EP disclosed
EP-2424834-B1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THEREOF HARVARD COLLEGE (US) 2018-07-11 EP disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
EP-2424834-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO President and Fellows of Harvard College (US) 2012-03-07 EP disclosed
WO-2012021712-A1 TETRACYCLINE ANALOGS TETRAPHASE PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2010126607-A2 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-11-04 WO disclosed
US-20100105671-A1 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. 2010-04-29 US disclosed
US-20100105671-A1 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. 2010-04-29 US disclosed
EP-0897904-B1 Fungicidal 2-methoxybenzophenones BASF AG (DE) 2002-02-20 EP disclosed
EP-0897904-A1 Fungicidal 2-methoxybenzophenones American Cyanamid Company (US) 1999-02-24 EP 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 (8 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-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TET1, TET3, TYMS CA12 4446/4885CA1 4137/4885CA2 4495/4885
US-20200055813-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A CA12 1923/4885CA1 2039/4885CA2 2568/4885
US-20100105671-A1 C7-fluoro substituted tetracycline compounds F7, TUBA1C, TUBA4A CA12 1923/4885CA1 2039/4885CA2 2568/4885
US-20190002398-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A CA12 1923/4885CA1 2039/4885CA2 2568/4885
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A CA12 1923/4885CA1 2039/4885CA2 2568/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A CA12 1664/4885CA1 2361/4885CA2 1081/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A CA12 1664/4885CA1 2361/4885CA2 1081/4885
US-20210122709-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A CA12 1923/4885CA1 2039/4885CA2 2568/4885

“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.