SCHEMBL16644554

SCHEMBL16644554

CC1(O)C(O)O[C@@](COC(=O)c2ccccc2)(C(F)F)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SLC22A1 O15245 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SLC6A3 Q01959 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SYNJ2 O15056 3/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ PRKCA P17252 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL16647588 1.00 ALDH1A1 (0.39) ALDH1A1MAPK1HIF1ALMNASLC22A1
SCHEMBL19866627 0.89 ALDH1A1 (0.38) ALDH1A1MAPK1HIF1ALMNASLC22A1
SCHEMBL16644528 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1HIF1ALMNASLC22A1
SCHEMBL17860796 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1HIF1ALMNATDP1
SCHEMBL17863956 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1HIF1ALMNATDP1
SCHEMBL20227073 0.74 ALDH1A1 (0.40) ALDH1A1MAPK1HIF1ALMNATDP1
SCHEMBL18879964 0.74 GAA (0.36) ALDH1A1MAPK1HIF1ALMNATDP1
SCHEMBL16644530 0.73 ALDH1A1 (0.36) ALDH1A1MAPK1HIF1ALMNATDP1
SCHEMBL17359539 0.73 ALDH1A1 (0.36) ALDH1A1MAPK1HIF1ALMNATDP1
SCHEMBL18877385 0.72 ALDH1A1 (0.40) ALDH1A1MAPK1LMNATDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-04-16 — — 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ALDH1A1 2325/4885MAPK1 2678/4885HIF1A 2104/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 ALDH1A1 2525/4885MAPK1 3826/4885HIF1A 2399/4885

“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.

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