SCHEMBL206248

SCHEMBL206248

Cc1sc(Nc2ccc(OCCCc3ccccc3)c(F)c2)nc1-c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
ROCK2 O75116 4/20 0.42
DHODH Q02127 1/20 0.41
CYP19A1 P11511 1/20 0.41
MET P08581 3/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL205858 0.89 CYP11B1 (0.43) CYP11B1CYP11B2DHODHCYP19A1ALDH1A1
SCHEMBL206676 0.86 CYP11B1 (0.42) CYP11B1CYP11B2DHODHCYP19A1ALDH1A1
SCHEMBL206129 0.85 ROCK2 (0.42) ROCK2DHODHMETALDH1A1MAPT
SCHEMBL207649 0.84 DHODH (0.41) CYP11B1CYP11B2ROCK2DHODHCYP19A1
SCHEMBL206880 0.82 MEN1 (0.56) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL207010 0.81 DHODH (0.38) CYP11B1CYP11B2ROCK2DHODHALDH1A1
SCHEMBL205176 0.80 MEN1 (0.55) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL205994 0.77 S1PR1 (0.43) DHODHALDH1A1LMNAKDM4EPOLB
SCHEMBL4211682 0.75 DHODH (0.39) CYP11B1CYP11B2DHODHALDH1A1LMNA
SCHEMBL205886 0.74 DHODH (0.38) ROCK2DHODHALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 CYP11B1 84/4885CYP11B2 304/4885ROCK2 3736/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CYP11B1 84/4885CYP11B2 304/4885ROCK2 3736/4885

“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.