Sugi Predict

Sugi Predict / Compounds / SCHEMBL209003

SCHEMBL209003

SCHEMBL209003

Fc1cc(Nc2nc(-c3cncnc3)cs2)ccc1OCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.41
▸ MEN1 O00255 10/20 0.41
▸ KMT2A Q03164 10/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CYP1A1 P04798 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP1B1 Q16678 3/20 0.38
▸ PKM P14618 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MCHR1 Q99705 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
SCHEMBL205935 0.90 MEN1 (0.55) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL208981 0.89 ALOX5 (0.49) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL208207 0.88 PTGES (0.45) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL206268 0.88 PTGES (0.42) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL206735 0.88 ABL1 (0.40) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL205720 0.87 PTGES (0.44) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL205926 0.85 PTGES (0.42) PTGESMEN1KMT2ARAB9AALOX5
SCHEMBL206190 0.84 ALOX5 (0.42) PTGESMEN1KMT2ARAB9AMAPT
SCHEMBL207413 0.84 SPHK1 (0.46) ALOX5
SCHEMBL206195 0.83 PTGES (0.38) PTGESALOX5PKMMCHR1GALR1

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 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-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 PTGES 2882/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGES 2882/4885MEN1 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.