SCHEMBL3113406

SCHEMBL3113406

CCCCC(=O)NCCS

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.56
CASP2 P42575 1/20 0.55
FAAH O00519 4/20 0.55
NAAA Q02083 1/20 0.52
HDAC3 O15379 5/20 0.50
HDAC4 P56524 5/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
HDAC5 Q9UQL6 5/20 0.50
CNR1 P21554 2/20 0.47
EPHX2 P34913 1/20 0.45
SELP P16109 1/20 0.45

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
SCHEMBL3117197 0.94 DNM1 (0.65) DNM1CASP2FAAHNAAAHDAC3
SCHEMBL13826993 0.92 DNM1 (0.68) DNM1CASP2FAAHNAAAHDAC3
SCHEMBL30632366 0.92 DNM1 (0.68) DNM1CASP2FAAHNAAAHDAC3
SCHEMBL5495532 0.92 DNM1 (0.68) DNM1CASP2FAAHNAAAHDAC3
SCHEMBL5503356 0.92 DNM1 (0.68) DNM1CASP2FAAHNAAAHDAC3
SCHEMBL10494183 0.92 DNM1 (0.68) DNM1CASP2FAAHNAAAHDAC3
SCHEMBL9001775 0.92 DNM1 (0.68) DNM1CASP2FAAHNAAAHDAC3
SCHEMBL3113940 0.86
SCHEMBL11955684 0.86 HDAC3 (0.61) DNM1CASP2FAAHHDAC3HDAC4
SCHEMBL14576902 0.86 CASP2 (0.64) DNM1CASP2FAAHNAAACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8460445-B2 Corrosion protection coatings BASF SE (DE) 2013-06-11 US claimed
CN-101711269-B Anticorrosive paint BASF SE 2013-05-15 CN claimed
US-20120227618-A1 CORROSION PROTECTION COATINGS BASF SE (DE) 2012-09-13 US claimed
US-20100175583-A1 CORROSION PROTECTION COATINGS BASF SE (DE) 2010-07-15 US claimed
CN-101711269-A Anticorrosive paint BASF SE 2010-05-19 CN claimed
US-20230390308-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-07 US disclosed
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-05 US disclosed
EP-4219516-A2 CHIRAL CONTROL Wave Life Sciences Ltd. (SG) 2023-08-02 EP disclosed
EP-3733684-B9 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2022-05-11 EP disclosed
EP-3733684-B1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2022-01-26 EP disclosed
EP-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 EP disclosed
US-20130186300-A1 CORROSION PROTECTION COATINGS ROSCHMANN KONRAD (DE) 2013-07-25 US disclosed
US-7022825-B2 Polyketides and antibiotics KOSAN BIOSCIENCES, INC. (US) 2006-04-04 US disclosed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US disclosed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US disclosed
US-6492562-B1 INVENTION ALSO RELATES TO NOVEL INTERMEDIATES AND THE RESULTING MODIFIED POLYKETIDES AND ANTIBIOTICS. KOSAN BIOSCIENCES, INC. 2002-12-10 US disclosed
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP disclosed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO disclosed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 WO disclosed
US-5015767-A Reducing agents for hair SOCIETE ANONYME DITE: L'OREAL (FR) 1991-05-14 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-20230390308-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES PKD1, PKD2, SLC10A1 DNM1 527/4885CASP2 2398/4885FAAH 3038/4885
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases HDAC1, HDAC2, HDAC9 DNM1 2054/4885CASP2 1080/4885FAAH 2914/4885
US-20100175583-A1 CORROSION PROTECTION COATINGS MGMT, SOD1, SOD3 DNM1 1546/4885CASP2 908/4885FAAH 4746/4885
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer COASY, KARS1, ACOT7 DNM1 4376/4885CASP2 2240/4885FAAH 2517/4885

“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.