SCHEMBL22127789

SCHEMBL22127789

COC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ ELANE P08246 11/20 0.47
▸ XIAP P98170 1/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ FAP Q12884 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ POLB P06746 1/20 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
SCHEMBL22127786 1.00 TSHR (0.48) TSHRELANEXIAPRAB9AMEN1
SCHEMBL14672906 0.90 ELANE (0.41) TSHRELANEXIAPRAB9AITGB1
SCHEMBL11493040 0.83 POLB (0.54) TSHRELANEMEN1KMT2APOLB
SCHEMBL28067717 0.83 POLB (0.54) TSHRELANEMEN1KMT2APOLB
SCHEMBL20781247 0.83 POLB (0.54) TSHRELANEMEN1KMT2APOLB
SCHEMBL20781240 0.83 POLB (0.54) TSHRELANEMEN1KMT2APOLB
SCHEMBL22127930 0.83 POLB (0.54) TSHRELANEMEN1KMT2APOLB
SCHEMBL22127927 0.83 POLB (0.54) TSHRELANEMEN1KMT2APOLB
SCHEMBL16529713 0.82 ACE (0.44) TSHRXIAPRAB9AMEN1KMT2A
SCHEMBL24224266 0.80 ELANE (0.56) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988561-B1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPHARMA LTD (KY) 2023-06-07 — — EP disclosed
EP-3988561-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPharma Ltd. (KY) 2022-04-27 — — EP disclosed
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases XWPharma Ltd. (KY) 2022-04-26 — — US disclosed
EP-3679051-B1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPHARMA LTD (KY) 2021-12-29 — — EP disclosed
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES XWPharma Ltd. (KY) 2021-03-04 — — US disclosed
US-10889572-B2 Reactive oxygen species scavengers and use for treating diseases XW LABORATORIES INC. (KY) 2021-01-12 — — US disclosed
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPharma Ltd. (KY) 2020-06-25 — — 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-10889572-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 TSHR 2220/4885ELANE 1469/4885XIAP 966/4885
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 TSHR 2220/4885ELANE 1469/4885XIAP 966/4885
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER GPX1, SOD1, GPX4 TSHR 2035/4885ELANE 2286/4885XIAP 1143/4885
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 TSHR 2220/4885ELANE 1469/4885XIAP 966/4885

“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.

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