SCHEMBL1920241

SCHEMBL1920241

O=Cc1ccc(CCS)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
ALDH1A1 P00352 6/20 0.40
ALDH1A3 P47895 2/20 0.40
ALDH3A1 P30838 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TYR P14679 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2A13 Q16696 1/20 0.38
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
EGFR P00533 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
EPHX2 P34913 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
SCHEMBL5429778 0.85 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4030898 0.80 IDO1 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL15452989 0.80 ALDH1A1 (0.47) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL332100 0.79 GFER (0.42) CYP2A6ALDH1A1KDM4E
SCHEMBL10490665 0.78 ALDH1A1 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL14330452 0.78 CYP2A6 (0.44) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3976211 0.76 CYP2A6 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL13367648 0.76 CYP2A6 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL22322066 0.76 CYP2A6 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL77237 0.76 CA2 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344177-B2 Albumin binding molecules and uses thereof PHILOCHEM AG (CH) 2013-01-01 US claimed
EP-2326350-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS Psma Development Company, L.L.C. (US) 2011-06-01 EP claimed
US-20100172844-A1 ALBUMIN BINDING MOLECULES AND USES THEREOF PHILOCHEM AG (CH) 2010-07-08 US claimed
WO-2010027513-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS PSMA DEVELOPMENT COMPANY, LLC (US) 2010-03-11 WO claimed
EP-2094647-A2 ALBUMIN BINDING MOLECULES AND USES THEREOF Philochem AG (CH) 2009-09-02 EP claimed
EP-1718667-A4 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH INC (US) 2009-04-08 EP claimed
WO-2008053360-A2 ALBUMIN BINDING MOLECULES AND USES THEREOF PHILOCHEM AG (CH) 2008-05-08 WO claimed
EP-1912677-A2 PSMA ANTIBODY-DRUG CONJUGATES Psma Development Company, L.L.C. (US) 2008-04-23 EP claimed
WO-2007002222-A2 PSMA ANTIBODY-DRUG CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2007-01-04 WO claimed
EP-1718667-A2 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH, INC. (US) 2006-11-08 EP claimed
WO-2005082023-A2 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH, INC. (US) 2005-09-09 WO claimed
EP-3057614-A1 COMBINATION THERAPIES WITH PSMA LIGAND CONJUGATES Psma Development Company, L.L.C. (US) 2016-08-24 EP disclosed
WO-2015057250-A1 COMBINATION THERAPIES WITH PSMA LIGAND CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2015-04-23 WO disclosed
US-8344177-B2 Albumin binding molecules and uses thereof PHILOCHEM AG (CH) 2013-01-01 US disclosed
EP-2326350-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS Psma Development Company, L.L.C. (US) 2011-06-01 EP disclosed
EP-2094647-A2 ALBUMIN BINDING MOLECULES AND USES THEREOF Philochem AG (CH) 2009-09-02 EP disclosed
WO-2008053360-A2 ALBUMIN BINDING MOLECULES AND USES THEREOF PHILOCHEM AG (CH) 2008-05-08 WO disclosed
EP-1912677-A2 PSMA ANTIBODY-DRUG CONJUGATES Psma Development Company, L.L.C. (US) 2008-04-23 EP disclosed
WO-2007002222-A2 PSMA ANTIBODY-DRUG CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2007-01-04 WO disclosed
US-4396553-A Tetrahydronaphthalene and indane compounds useful as anti-tumor agents HOFFMANN-LA ROCHE INC. (US) 1983-08-02 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 (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-20100172844-A1 ALBUMIN BINDING MOLECULES AND USES THEREOF ALB, FABP1, FABP2 CYP2A6 2787/4885HSD17B10 3633/4885ALDH5A1 3568/4885

“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.