SCHEMBL1689638

SCHEMBL1689638

COc1cc(I)cc(-c2ccsc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.47
PDGFRA P16234 4/20 0.47
NPC1 O15118 1/20 0.43
CYP2A6 P11509 6/20 0.42
ERN1 O75460 1/20 0.42
CYP2E1 P05181 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C8 P10632 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP4B1 P13584 2/20 0.40
CYP3A5 P20815 2/20 0.40
CYP2A7 P20853 2/20 0.40
CYP3A7 P24462 2/20 0.40
CYP2F1 P24903 2/20 0.40
CYP2C18 P33260 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL1689661 0.79 PDGFRB (0.47) PDGFRBPDGFRANPC1CYP2A6ERN1
SCHEMBL16398855 0.76 RXRA (0.50) PDGFRBPDGFRANPC1CYP2A6ERN1
SCHEMBL4446638 0.75 CYP2E1 (0.52) PDGFRBPDGFRANPC1CYP2A6CYP2E1
SCHEMBL2780033 0.74 CYP2A6 (0.55) PDGFRBPDGFRANPC1CYP2A6CYP2E1
SCHEMBL1689880 0.73 ERN1 (0.43) PDGFRBPDGFRANPC1CYP2A6ERN1
SCHEMBL1689969 0.73 CYP2A6 (0.42) CYP2A6ERN1CYP2E1CYP2B6CYP3A4
SCHEMBL8352805 0.72 CYP2A6 (0.67) PDGFRBPDGFRANPC1CYP2A6CYP2B6
SCHEMBL29234155 0.71 ERN1 (0.58) PDGFRBPDGFRANPC1CYP2A6ERN1
SCHEMBL388181 0.70 ALDH1A1 (0.69) CYP2A6CYP2E1CYP2B6CYP1A1CYP1A2
SCHEMBL811852 0.70 ALDH1A1 (0.59) CYP2A6CYP2E1CYP2B6CYP1A1CYP1A2

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-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2190808-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 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-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S PDGFRB 1011/4885PDGFRA 3054/4885NPC1 639/4885

“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.