Sugi Predict

Sugi Predict / Compounds / SCHEMBL2207330

SCHEMBL2207330

SCHEMBL2207330

C=CCCCC(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ USP2 O75604 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ FAAH O00519 5/20 0.35
▸ MGLL Q99685 4/20 0.35
▸ LMNA P02545 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ TSHR P16473 3/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2203259 0.90 MAPT (0.36) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL6910766 0.82 CA2 (0.47) MAPTCYP3A4FAAHTSHRMAPK1
SCHEMBL2784436 0.80 MAPT (0.38) MAPTALDH1A1HPGDLMNATSHR
SCHEMBL8342328 0.80 TDP1 (0.44) MAPTALDH1A1USP2CYP3A4SMN1; SMN2
SCHEMBL11599817 0.79 MAPT (0.37) MAPTCYP3A4FAAHTSHR
SCHEMBL2224240 0.79 MAPT (0.37) MAPTSMN1; SMN2FAAHMAPK1
SCHEMBL5849651 0.79 FAAH (0.51) MAPTALDH1A1FAAHLMNA
SCHEMBL335124 0.78 CHRM1 (0.41) MAPTFAAHMAPK1
SCHEMBL1703441 0.76 FAAH (0.42) MAPTALDH1A1FAAHLMNA
SCHEMBL4089567 0.76 FAAH (0.42) MAPTALDH1A1FAAHLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 — — US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 — — US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 — — US disclosed
US-20040142945-A1 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 — — US disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — WO 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 (3 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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S MAPT 4840/4885ALDH1A1 522/4885USP2 4027/4885
US-20040142945-A1 Fused heterocyclic compounds and use thereof MCL1, NFATC1, BCR MAPT 4828/4885ALDH1A1 353/4885USP2 3929/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R MAPT 4815/4885ALDH1A1 603/4885USP2 4139/4885

“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.