Sugi Predict

Sugi Predict / Compounds / SCHEMBL248468

SCHEMBL248468

SCHEMBL248468

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 3/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CDK6 Q00534 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SPHK2 Q9NRA0 2/20 0.38
▸ ENPP2 Q13822 5/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ DCPS Q96C86 1/20 0.35

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
SCHEMBL2698483 0.95 CDK4 (0.44) SPHK1MEN1KMT2ARAB9AALDH1A1
SCHEMBL250069 0.92 MEN1 (0.37) SPHK1MEN1KMT2AALDH1A1ERBB2
SCHEMBL248376 0.91 SPHK1 (0.40) SPHK1MEN1KMT2ARAB9AEGFR
SCHEMBL207106 0.89 S1PR1 (0.42) SPHK1MEN1KMT2ARAB9AALDH1A1
SCHEMBL254052 0.88 SMN1; SMN2 (0.47) KMT2ARAB9AALDH1A1MAPTNPC1
SCHEMBL206370 0.88 RAB9A (0.46) MEN1KMT2ARAB9AEGFRERBB2
SCHEMBL205154 0.86 GALR1 (0.36) SPHK1MEN1KMT2AALDH1A1EGFR
SCHEMBL251178 0.86 HRH3 (0.44) SPHK1MEN1KMT2ACDK4CDK6
SCHEMBL206395 0.86 S1PR4 (0.38) SPHK1MEN1KMT2AEGFRERBB2
SCHEMBL205846 0.85 LMNA (0.46) SPHK1MEN1KMT2AALDH1A1EGFR

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 SPHK1 3353/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SPHK1 3353/4885MEN1 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.