SCHEMBL17431017

SCHEMBL17431017

C[C@@H](CCCCC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
BLM P54132 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 1/20 0.46
TBXAS1 P24557 2/20 0.40
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL13062920 0.98 ACE2 (0.50) LTA4HBLMACE2ACACBACACA
SCHEMBL31444733 0.98 ACE2 (0.50) LTA4HBLMACE2ACACBACACA
SCHEMBL20825612 0.96 BLM (0.54) LTA4HBLMACE2ACACBACACA
SCHEMBL8848397 0.87 LTA4H (0.50) LTA4HBLMACE2ACACBACACA
SCHEMBL27286922 0.84 GABRR1 (0.52) LTA4HBLMACE2ACACBACACA
SCHEMBL3753790 0.84 GABRR1 (0.52) LTA4HBLMACE2ACACBACACA
SCHEMBL3259070 0.83 ACACB (0.69) LTA4HBLMACE2ACACBACACA
SCHEMBL16330413 0.83 BLM (0.65) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL7179523 0.83 BLM (0.65) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL22579908 0.83 ACACB (0.53) LTA4HBLMACE2ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180140711-A1 DUOCARMYCIN ADCS SHOWING IMPROVED IN VIVO ANTITUMOR ACTIVITY SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2018-05-24 US disclosed
US-20170320965-A1 PAN-REACTIVE ANTIBODIES TO DUOCARMYCINS SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2017-11-09 US disclosed
US-20170014525-A1 DUOCARMYCIN ADCS SHOWING IMPROVED IN VIVO ANTITUMOR ACTIVITY SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2017-01-19 US disclosed
US-20170007717-A1 DUOCARMYCIN ADCS FOR USE IN TREATMENT OF ENDOMETRIAL CANCER SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2017-01-12 US disclosed
US-9427480-B2 Duocarmycin ADCs for use in treatment of endometrial cancer SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2016-08-30 US disclosed
US-9421278-B2 Duocarmycin ADCS showing improved in vivo antitumor activity SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2016-08-23 US disclosed
US-20160008487-A1 DUOCARMYCIN ADCS FOR USE IN TREATMENT OF ENDOMETRIAL CANCER BYONDIS B.V. (NL) 2016-01-14 US disclosed
US-20160008486-A1 DUOCARMYCIN ADCS SHOWING IMPROVED IN VIVO ANTITUMOR ACTIVITY SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2016-01-14 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 (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-20160008486-A1 DUOCARMYCIN ADCS SHOWING IMPROVED IN VIVO ANTITUMOR ACTIVITY CD38, BRCA1, TP53 LTA4H 1736/4885BLM 2641/4885ACE2 2943/4885
US-20180140711-A1 DUOCARMYCIN ADCS SHOWING IMPROVED IN VIVO ANTITUMOR ACTIVITY CD38, BRCA1, TP53 LTA4H 1736/4885BLM 2641/4885ACE2 2943/4885
US-20160008487-A1 DUOCARMYCIN ADCS FOR USE IN TREATMENT OF ENDOMETRIAL CANCER CD38, MKI67, ACR LTA4H 3539/4885BLM 4308/4885ACE2 3740/4885
US-20170014525-A1 DUOCARMYCIN ADCS SHOWING IMPROVED IN VIVO ANTITUMOR ACTIVITY CD38, BRCA1, TP53 LTA4H 1736/4885BLM 2641/4885ACE2 2943/4885
US-20170007717-A1 DUOCARMYCIN ADCS FOR USE IN TREATMENT OF ENDOMETRIAL CANCER CD38, MKI67, ACR LTA4H 3539/4885BLM 4308/4885ACE2 3740/4885
US-20170320965-A1 PAN-REACTIVE ANTIBODIES TO DUOCARMYCINS GANAB, CNDP2, CD38 LTA4H 2390/4885BLM 4062/4885ACE2 4448/4885

“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.