SCHEMBL16585740

SCHEMBL16585740

Cc1csc(N[C@@H](C)C(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 2/20 0.33
▸ MCL1 Q07820 3/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BCL2 P10415 1/20 0.31

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
SCHEMBL28051084 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMCL1CYP1A2CYP3A4
SCHEMBL10726725 0.77 MAPT (0.35) ALDH1A1MAPTPKMKDM4E
SCHEMBL2780499 0.75 ALDH1A1 (0.39) ALDH1A1PKMKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL6775496 0.74 ALDH1A1 (0.38) ALDH1A1PKMKDM4EL3MBTL1
SCHEMBL569818 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1900149 0.68 POLB (0.43) ALDH1A1CYP1A2ATMPOLBL3MBTL1
SCHEMBL6264012 0.68 POLB (0.43) ALDH1A1CYP1A2ATMPOLBL3MBTL1
SCHEMBL4411485 0.68 POLB (0.43) ALDH1A1CYP1A2ATMPOLBL3MBTL1
SCHEMBL4411484 0.68 POLB (0.43) ALDH1A1CYP1A2ATMPOLBL3MBTL1
SCHEMBL24322196 0.68 MAPT (0.39) ALDH1A1MAPTHPGDPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244484-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2016-08-25 — — US claimed
EP-3049428-A1 ANTI-INFLAMMATORY TRIPEPTIDES Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2016-08-03 — — EP claimed
WO-2015040235-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-03-26 — — WO claimed
US-10954269-B2 Anti-inflammatory tripeptides DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2021-03-23 — — US disclosed
US-20190153029-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2019-05-23 — — US disclosed
US-10227379-B2 Anti-inflammatory tripeptides DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2019-03-12 — — US disclosed
US-20160244484-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2016-08-25 — — US disclosed
EP-3049428-A1 ANTI-INFLAMMATORY TRIPEPTIDES Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2016-08-03 — — EP disclosed
WO-2015040235-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-03-26 — — 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 (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-20160244484-A1 ANTI-INFLAMMATORY TRIPEPTIDES VIP, TNF, ENPEP ALDH1A1 2456/4885MAPT 3805/4885MCL1 2910/4885
US-20190153029-A1 ANTI-INFLAMMATORY TRIPEPTIDES VIP, TNF, ENPEP ALDH1A1 2456/4885MAPT 3805/4885MCL1 2910/4885
US-10954269-B2 Anti-inflammatory tripeptides VIP, TNF, ENPEP ALDH1A1 2456/4885MAPT 3805/4885MCL1 2910/4885
US-10227379-B2 Anti-inflammatory tripeptides VIP, TNF, ENPEP ALDH1A1 2456/4885MAPT 3805/4885MCL1 2910/4885

“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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