SCHEMBL206105

SCHEMBL206105

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(NC)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
ALOX5 P09917 5/20 0.41
PTGES O14684 1/20 0.40
NPC1 O15118 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MCHR1 Q99705 1/20 0.38
VCP P55072 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL207455 0.99 S1PR1 (0.43) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL206208 0.90 S1PR1 (0.48) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL208686 0.90 S1PR1 (0.46) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL208681 0.89 ALOX5 (0.46) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL204874 0.89 S1PR1 (0.47) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL206216 0.89 S1PR1 (0.47) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL205851 0.89 S1PR1 (0.44) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL206889 0.89 S1PR1 (0.44) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL205425 0.89 S1PR1 (0.44) S1PR1MEN1KMT2AMAPTRAB9A
SCHEMBL204577 0.88 ALOX5 (0.46) S1PR1MEN1KMT2AMAPTRAB9A

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 S1PR1 1259/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885MEN1 3862/4885KMT2A 3476/4885

“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.