SCHEMBL21751228

SCHEMBL21751228

CC(C)(C)OC(=O)NCCc1ccc(-c2cccs2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSK P43235 3/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
NQO2 P16083 1/20 0.41
HDAC1 Q13547 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SCN9A Q15858 2/20 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
SCHEMBL6184762 0.83 NPC1 (0.56) ALDH1A1LMNAMAPTCTSKCTSS
SCHEMBL21762336 0.77 ALDH1A1 (0.37) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL12580581 0.77 MCL1 (0.59) ALDH1A1LMNAMAPTL3MBTL1HDAC1
SCHEMBL22306558 0.77 HTT (0.44) ALDH1A1LMNAGAAMAPTNQO2
SCHEMBL19770197 0.77 HTT (0.44) ALDH1A1LMNAGAAMAPTNQO2
SCHEMBL30466794 0.76 HPGD (0.49) ALDH1A1LMNAMAPTNQO2NPC1
SCHEMBL30466788 0.74 HTT (0.42) ALDH1A1LMNAGAAMAPTNQO2
SCHEMBL30466778 0.73 MALT1 (0.43) ALDH1A1LMNAGAAMAPTNQO2
SCHEMBL12641398 0.73 HDAC1 (0.58) ALDH1A1LMNAMAPTL3MBTL1HDAC1
SCHEMBL30973812 0.73 ALDH1A1 (0.39) KDM4EALDH1A1LMNAGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435100-B2 Perovskite solar cells PURDUE RESEARCH FOUNDATION (US) 2025-10-07 US disclosed
US-11800784-B2 Two-dimensional halide perovskite materials PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US disclosed
US-11800784-B2 Two-dimensional halide perovskite materials PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US disclosed
US-11800784-B2 Two-dimensional halide perovskite materials PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US disclosed
US-20220246865-A1 PEROVSKITE SOLAR CELLS PURDUE RESEARCH FOUNDATION (US) 2022-08-04 US disclosed
US-20210343948-A1 Two-Dimensional Halide Perovskite Materials PURDUE RESEARCH FOUNDATION (US) 2021-11-04 US disclosed
US-20210343948-A1 Two-Dimensional Halide Perovskite Materials PURDUE RESEARCH FOUNDATION (US) 2021-11-04 US disclosed
US-10618889-B2 Thiophene monoamine based organic-inorganic hybrid perovskites PURDUE RESEARCH FOUNDATION (US) 2020-04-14 US disclosed
US-10618889-B2 Thiophene monoamine based organic-inorganic hybrid perovskites PURDUE RESEARCH FOUNDATION (US) 2020-04-14 US disclosed
US-20200062740-A1 THIOPHENE MONOAMINE BASED ORGANIC-INORGANIC HYBRID PEROVSKITES PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed
US-20200062740-A1 THIOPHENE MONOAMINE BASED ORGANIC-INORGANIC HYBRID PEROVSKITES PURDUE RESEARCH FOUNDATION (US) 2020-02-27 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-10618889-B2 Thiophene monoamine based organic-inorganic hybrid perovskites COMT, TYR, SLC6A3 DPP4 2350/4885LTA4H 3282/4885KDM4E 385/4885
US-20210343948-A1 Two-Dimensional Halide Perovskite Materials EYA2, BRAP, EYA3 DPP4 2292/4885LTA4H 4142/4885KDM4E 1729/4885
US-20220246865-A1 PEROVSKITE SOLAR CELLS BCL3, MCL1, ANXA3 DPP4 4468/4885LTA4H 3786/4885KDM4E 2467/4885
US-12435100-B2 Perovskite solar cells BCL3, MCL1, ANXA3 DPP4 4468/4885LTA4H 3786/4885KDM4E 2467/4885
US-11800784-B2 Two-dimensional halide perovskite materials EYA2, BRAP, EYA3 DPP4 2292/4885LTA4H 4142/4885KDM4E 1729/4885
US-20200062740-A1 THIOPHENE MONOAMINE BASED ORGANIC-INORGANIC HYBRID PEROVSKITES COMT, TYR, SLC6A3 DPP4 2350/4885LTA4H 3282/4885KDM4E 385/4885

“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.