SCHEMBL22480889

SCHEMBL22480889

COC(=O)c1cc(CBr)cc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 3/20 0.40
CYP17A1 P05093 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN11 Q06124 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
LCK P06239 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL26162760 0.88 CYP17A1 (0.40) KDM4ELMNAALDH1A1CYP17A1HPGD
SCHEMBL18538982 0.88 KDM4E (0.51) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL15858111 0.87 CYP17A1 (0.46) ALDH1A1CYP17A1TOP2ATOP2BHDAC3
SCHEMBL18411800 0.86 KDM4E (0.50) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL15858102 0.85 KDM4E (0.61) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL7383587 0.85 KDM4E (0.57) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL7473050 0.82 CYP17A1 (0.42) ALDH1A1CYP17A1KMT2AHTTNPSR1
SCHEMBL18668121 0.82 KDM4E (0.54) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL31568470 0.80 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL22469882 0.80 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
WO-2020198537-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2020-10-01 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 KDM4E 3875/4885LMNA 3209/4885ALDH1A1 4266/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 KDM4E 3875/4885LMNA 3209/4885ALDH1A1 4266/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 KDM4E 3875/4885LMNA 3209/4885ALDH1A1 4266/4885

“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.