Sugi Predict

Sugi Predict / Compounds / SCHEMBL2207983

SCHEMBL2207983

SCHEMBL2207983

CCOC(=O)c1sc(Nc2nc(N3CCC(O)CC3)c3c(n2)N(Cc2ccc(S(=O)(=O)NC)cc2)CCC3)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.55
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ DHODH Q02127 2/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL2205411 0.96 PDE5A (0.52) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2205274 0.93 PDE5A (0.46) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2208299 0.92 PDE5A (0.56) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2208752 0.92 PDE5A (0.57) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2205578 0.91 NPSR1 (0.48) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2206256 0.91 PDE5A (0.56) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2206801 0.90 PDE5A (0.54) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2202639 0.89 PDE5A (0.57) PDE5APDE3BPDE3AALDH1A1LMNA
SCHEMBL2204160 0.89 PDE5A (0.53) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2207509 0.88 PDE5A (0.52) PDE5APDE3BPDE3AALDH1A1SMN1; SMN2

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 5 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 claimed
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

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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S PDE5A 3946/4885PDE3B 3256/4885PDE3A 3666/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R PDE5A 4015/4885PDE3B 3217/4885PDE3A 3655/4885

“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.