Sugi Predict

Sugi Predict / Compounds / SCHEMBL6101745

SCHEMBL6101745

SCHEMBL6101745

C#C[C@@H](OC(=O)c1ccccc1)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL384061 0.84 ALDH1A1 (0.44) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL882116 0.84 ALDH1A1 (0.44) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL16300870 0.84 ALDH1A1 (0.44) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL6869344 0.81 TSHR (0.37) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL6573361 0.81 TSHR (0.37) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL882273 0.80 ALDH1A1 (0.41) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL10249272 0.80 ALDH1A1 (0.41) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL22509003 0.79 SLC6A4 (0.49) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL6880742 0.79 LGALS3 (0.36) TSHRTP53LMNACYP1A2CYP2D6
SCHEMBL6880738 0.79 LGALS3 (0.36) TSHRTP53LMNACYP1A2CYP2D6

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-7081449-B2 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides VALEANT RESEARCH & DEVELOPMENT (US) 2006-07-25 — — US disclosed
US-6831069-B2 Having substituents at the C4' and C5' positions of the ribofuranose moiety; anticancer and immunomodulating effects at reduced cytotoxicity; treating autoimmune diseases, cancer, dermatitis RIBAPHARM INC. 2004-12-14 — — US disclosed
EP-1363581-A2 PYRROLO(2,3-D)PYRIMIDINE NUCLEOSIDE ANALOGS Ribapharm, Inc. (US) 2003-11-26 — — EP disclosed
US-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides MDRNA RESEARCH, INC. 2003-07-31 — — US disclosed
WO-2002100354-A2 PYRROLO[2,3-D]PYRIMIDINE NUCLEOSIDE ANALOGS RIBAPHARM INC. (US) 2002-12-19 — — WO disclosed
US-20020035077-A1 Pyrrolo[2,3-d]pyrimidine nucleoside analogs CEQUENT PHARMACEUTICALS, INC. 2002-03-21 — — 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-20020035077-A1 Pyrrolo[2,3-d]pyrimidine nucleoside analogs TYMP, DPYD, TYMS ALDH1A1 2327/4885TSHR 3814/4885NPC1 3350/4885
US-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides DPYD, TYMP, PNPO ALDH1A1 1759/4885TSHR 1518/4885NPC1 3327/4885

“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.