SCHEMBL6657643

SCHEMBL6657643

[CH](Cc1ccccc1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
TRPA1 O75762 1/20 0.44
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4A P47712 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RIOK2 Q9BVS4 1/20 0.38
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GRM5 P41594 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PDE1B Q01064 1/20 0.35

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
SCHEMBL6570545 0.86 PLA2G4A (0.47) PDPK1TRPA1L3MBTL1ALDH1A1MAPT
SCHEMBL9247585 0.82 FFAR2 (0.43) TRPA1L3MBTL1MAPTLMNAKDM4E
SCHEMBL3388731 0.79 SMN1; SMN2 (0.40) PDPK1MAOBALDH1A1MAPTPKM
SCHEMBL8671010 0.75 FDPS (0.38) MAOBALDH1A1TSHRRIOK2HSD17B10
SCHEMBL28038637 0.71 TRPA1 (0.42) PDPK1TRPA1ALDH1A1MAPTPKM
SCHEMBL1986516 0.71
SCHEMBL949287 0.71 PDPK1 (0.45) PDPK1TRPA1ALDH1A1MAPTPKM
SCHEMBL8433401 0.70 PLA2G4A (0.49) PDPK1MAOBL3MBTL1ALDH1A1USP2
SCHEMBL28795824 0.70
SCHEMBL28055975 0.70

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598129-A1 NOVEL TETRAPEPTIDE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1994-05-25 EP claimed
US-20180222858-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2018-08-09 US disclosed
EP-2989086-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS Pierre Fabre Médicament (FR) 2016-03-02 EP disclosed
WO-2014174060-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
EP-2780039-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2014-09-24 EP disclosed
WO-2013072813-A2 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 WO disclosed
EP-0731106-B1 DOLASTATIN DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2004-11-17 EP disclosed
EP-0600744-B2 Tumor inhibiting tetrapeptides bearing modified phenethyl amides UNIV ARIZONA (US) 2004-06-30 EP disclosed
CN-1146535-C Preparing method for azide derivatives 卫材株式会社 2004-04-21 CN disclosed
EP-0787009-B1 CANCER INHIBITORY PEPTIDES UNIV ARIZONA STATE (US) 2004-01-21 EP disclosed
US-6004934-A ANTITUMOR AND ANTICARCINOGENIC AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1999-12-21 US disclosed
US-6004934-A ANTITUMOR AND ANTICARCINOGENIC AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1999-12-21 US disclosed
EP-0934950-A1 Tetrapeptide derivative TEIKOKU HORMONE MFG. CO., LTD. (JP) 1999-08-11 EP disclosed
CN-1194264-A Preparing method for azide derivatives EISAI CO LTD (JP) 1998-09-30 CN disclosed
US-5654399-A DOLASTATIN 10 DERIVATIVE; POTENCY, LOW TOXICITY TEIKOKU HORMONE MFG. CO., LTD. (JP) 1997-08-05 US disclosed
US-5654399-A DOLASTATIN 10 DERIVATIVE; POTENCY, LOW TOXICITY TEIKOKU HORMONE MFG. CO., LTD. (JP) 1997-08-05 US disclosed
EP-0598129-A4 NOVEL TETRAPEPTIDE DERIVATIVE. TEIKOKU HORMONE MFG CO LTD (JP) 1995-10-25 EP disclosed
EP-0598129-A1 NOVEL TETRAPEPTIDE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1994-05-25 EP disclosed
EP-0598129-A1 NOVEL TETRAPEPTIDE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1994-05-25 EP disclosed
WO-1993003054-A1 NOVEL TETRAPEPTIDE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1993-02-18 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 (1 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-20180222858-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR PDPK1 4580/4885TRPA1 1766/4885MAOB 3804/4885

“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.