SCHEMBL250069

SCHEMBL250069

CCCCCOc1ccc(Nc2nc(CN3CCC(C)CC3)cs2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
TRPC3 Q13507 5/20 0.36
TRPC6 Q9Y210 5/20 0.36
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MCHR1 Q99705 1/20 0.35
AXL P30530 1/20 0.35
ENPP2 Q13822 2/20 0.34
ERBB2 P04626 1/20 0.34
P2RX3 P56373 1/20 0.34
DCPS Q96C86 1/20 0.34
MET P08581 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL248468 0.92 SPHK1 (0.43) MEN1KMT2AMAPTSPHK1S1PR4
SCHEMBL248376 0.91 SPHK1 (0.40) MEN1KMT2AMAPTSPHK1S1PR4
SCHEMBL205846 0.90 LMNA (0.46) MEN1KMT2AMAPTSPHK1MCHR1
SCHEMBL2698483 0.89 CDK4 (0.44) MEN1KMT2AMAPTSPHK1S1PR4
SCHEMBL251396 0.89 S1PR1 (0.40) MEN1KMT2AMAPTSPHK1TRPC3
SCHEMBL206370 0.88 RAB9A (0.46) MEN1KMT2AMAPTAXLERBB2
SCHEMBL251178 0.87 HRH3 (0.44) MEN1KMT2AMAPTSPHK1S1PR4
SCHEMBL205154 0.87 GALR1 (0.36) MEN1KMT2AMAPTSPHK1S1PR4
SCHEMBL254052 0.87 SMN1; SMN2 (0.47) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL206395 0.87 S1PR4 (0.38) MEN1KMT2AMAPTSPHK1S1PR4

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 MEN1 3862/4885KMT2A 3476/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885MAPT 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.