SCHEMBL19866627

SCHEMBL19866627

CC1O[C@@](COC(=O)c2ccccc2)(C(F)F)[C@@H](O)[C@@]1(C)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ ADRB2 P07550 2/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ ADRB3 P13945 2/20 0.34
▸ PRKCA P17252 4/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RPTOR Q8N122 1/20 0.33

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 0.89 ALDH1A1 (0.39) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL16644554 0.89 ALDH1A1 (0.39) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL17860796 0.77 ALDH1A1 (0.41) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL17863956 0.75 ALDH1A1 (0.47) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL16644528 0.74 ALDH1A1 (0.39) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL20227073 0.73 ALDH1A1 (0.40) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL18879964 0.73 GAA (0.36) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL16644530 0.72 ALDH1A1 (0.36) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL17359539 0.72 ALDH1A1 (0.36) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL18877385 0.71 ALDH1A1 (0.40) ALDH1A1LMNATDP1TSHRMAPK1

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-10370401-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2019-08-06 — — US disclosed
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2018-02-15 — — 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-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 ALDH1A1 2525/4885LMNA 1060/4885TDP1 367/4885
US-10370401-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, NUDT1 ALDH1A1 2525/4885LMNA 1060/4885TDP1 367/4885

“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.

Send feedback