SCHEMBL19615980

SCHEMBL19615980

Cn1nc(COc2ccc(S(C)(=O)=O)cc2)c(Br)c1CO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
PTPRZ1 P23471 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
GHSR Q92847 1/20 0.34
ENPP2 Q13822 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA7 P43166 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PTGS1 P23219 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL19615270 0.80 MEN1 (0.45)
SCHEMBL19635290 0.78 ALDH1A1 (0.41) PTGS2CA12CA9
SCHEMBL19635460 0.75 MRGPRX4 (0.42)
SCHEMBL21802247 0.74 MAPT (0.44) ENPP2
SCHEMBL19635786 0.74 CYP4F2 (0.39) PTGS2LOXL2PTPRZ1NR1H4GHSR
SCHEMBL19635391 0.73 MAPT (0.34)
SCHEMBL1577607 0.68 CA12 (0.40) PTGS2PTPRZ1NR1H4GHSRCA12
SCHEMBL21802224 0.67 MCL1 (0.45) MMP2ADAM17
SCHEMBL1577718 0.66 NR1H4 (0.43) PTGS2NR1H4GHSRCA12CA1
SCHEMBL1577742 0.66 CA12 (0.40) PTGS2PTPRZ1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 PTGS2 1979/4885LOXL2 3492/4885PTPRZ1 2681/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 PTGS2 1986/4885LOXL2 3283/4885PTPRZ1 2644/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 PTGS2 1987/4885LOXL2 3293/4885PTPRZ1 2673/4885

“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.