SCHEMBL5991978

SCHEMBL5991978

CCSc1ccc(N)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SLC6A4 P31645 7/20 0.39
MAOA P21397 1/20 0.39
GCK P35557 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
TYMS P04818 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL1146608 0.81 SLC6A4 (0.38) ALDH1A1SLC6A4MAOACA2CA4
SCHEMBL20226548 0.79 THRB (0.40) ALDH1A1MAOAMAPT
SCHEMBL27229140 0.78 ALDH1A1 (0.46) ALDH1A1SLC6A4MAOAGCKTYMS
SCHEMBL388877 0.77 ALDH1A1 (0.50) ALDH1A1SLC6A4MAOACA12CA1
SCHEMBL29019053 0.76 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL5981668 0.76 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL10415653 0.76 SLC6A4 (0.39) ALDH1A1SLC6A4MAOAGCKCA12
SCHEMBL3793113 0.76 TSHR (0.50) ALDH1A1SLC6A4MAOAGCKCA12
SCHEMBL10415734 0.76 SLC6A4 (0.39) ALDH1A1SLC6A4MAOAGCKCA12
SCHEMBL2111428 0.76 KDM1A (0.37) SLC6A4MAOAHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2021-02-11 US disclosed
US-10711032-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-20180155389-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2018-06-07 US disclosed
US-9765188-B2 High molecular weight polythioaminals from a single monomer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-09-19 US disclosed
US-20170121461-A1 HIGH MOLECULAR WEIGHT POLYTHIOAMINALS FROM A SINGLE MONOMER INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-05-04 US disclosed
US-7078438-B2 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY (US) 2006-07-18 US disclosed
US-20050137263-A1 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY, LLC 2005-06-23 US disclosed
US-6891066-B2 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY (US) 2005-05-10 US disclosed
EP-1467968-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS Warner-Lambert Company LLC (US) 2004-10-20 EP disclosed
US-20040006245-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters REWCASTLE GORDON WILLIAM (NZ) 2004-01-08 US disclosed
WO-2003062191-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO disclosed
US-4913728-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-03 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 (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-20180155389-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 ALDH1A1 4143/4885SLC6A4 3882/4885MAOA 4664/4885
US-20050137263-A1 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters PAH, EGLN3, PAOX ALDH1A1 377/4885SLC6A4 526/4885MAOA 114/4885
US-10711032-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 ALDH1A1 4143/4885SLC6A4 3882/4885MAOA 4664/4885
US-20040006245-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters HCAR2, EGLN3, AADAC ALDH1A1 436/4885SLC6A4 802/4885MAOA 157/4885
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 ALDH1A1 4113/4885SLC6A4 3841/4885MAOA 4635/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 ALDH1A1 4113/4885SLC6A4 3841/4885MAOA 4635/4885

“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.