SCHEMBL21160430

SCHEMBL21160430

CC(C)(C)c1cc2c([nH]c3sc(C(C)(C)C)cc32)s1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
PDPK1 O15530 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL21234682 0.87 ERCC5 (0.30) ERCC5FEN1
SCHEMBL24519227 0.85
SCHEMBL21160429 0.80 ERCC5 (0.47) ERCC5FEN1PDPK1
SCHEMBL3200535 0.76 ERCC5 (0.38) ERCC5FEN1PDPK1
SCHEMBL21234681 0.71 ERCC5 (0.40) ERCC5FEN1PDPK1
SCHEMBL21160599 0.70 PDPK1 (0.32) ERCC5FEN1PDPK1MRGPRX1
SCHEMBL20718584 0.70 PDPK1 (0.40) ERCC5FEN1PDPK1MRGPRX1
SCHEMBL726777 0.67 ERCC5 (0.56) ERCC5FEN1PDPK1
SCHEMBL12611167 0.67 PDPK1 (0.38) ERCC5FEN1PDPK1MRGPRX1
SCHEMBL17225432 0.67 PDPK1 (0.38) ERCC5FEN1PDPK1MRGPRX1

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-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 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 (4 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF ERCC5 3791/4885FEN1 1242/4885PDPK1 2381/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B ERCC5 419/4885FEN1 45/4885PDPK1 3627/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF ERCC5 3791/4885FEN1 1242/4885PDPK1 2381/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B ERCC5 419/4885FEN1 45/4885PDPK1 3627/4885

“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.