SCHEMBL206022

SCHEMBL206022

CCCCCOc1ccc(Nc2nc(C(=O)Nc3ccc(OC)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.48
AMY1A P0DUB6 7/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
GAA P10253 2/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NR1I2 O75469 1/20 0.42

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
SCHEMBL206001 0.91 S1PR1 (0.49) S1PR1AMY1AMAPTALOX12ALDH1A1
SCHEMBL206558 0.91 S1PR1 (0.49) S1PR1MAPTLMNASMN1; SMN2CA12
SCHEMBL205913 0.90 S1PR1 (0.50) S1PR1MAPTLMNAKDM4ECA12
SCHEMBL207399 0.88 S1PR1 (0.47) S1PR1SMN1; SMN2ALDH1A1KDM4ECA12
SCHEMBL206323 0.88 S1PR1 (0.50) S1PR1MAPTLMNAGAAKDM4E
SCHEMBL206042 0.88 CA2 (0.59) S1PR1CA12CA1CA2CA9
SCHEMBL205948 0.87 S1PR1 (0.47) S1PR1MAPTKDM4EKMT2ACA12
SCHEMBL204820 0.86 SGMS2 (0.47) S1PR1LMNAKMT2ACA12CA1
SCHEMBL206224 0.86 S1PR1 (0.54) S1PR1MAPTGAAKDM4ECA12
SCHEMBL206582 0.86 S1PR1 (0.54) S1PR1MAPTGAAALDH1A1KDM4E

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 9 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 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 S1PR1 1259/4885AMY1A 527/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885AMY1A 527/4885MAPT 2207/4885

“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.