SCHEMBL2261017

SCHEMBL2261017

CC(C)N(C(C)C)C(Cl)(OP)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CYP2D6 P10635 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.33
KCNN4 O15554 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 2/20 0.31
ALOX15 P16050 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2252922 0.81 KCNN4 (0.35) CYP2D6ALDH1A1CYP2C19HSD17B10MAPK1
SCHEMBL2257330 0.79 KCNN4 (0.46) TSHRCYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL3220633 0.74 TSHR (0.44) TSHRCYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL28467487 0.69 CYP2D6 (0.44) CYP2D6ALDH1A1CYP2C19HSD17B10MAPK1
SCHEMBL3223142 0.66 ALDH1A1 (0.44) TSHRCYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1552018 0.63 MAPK1 (0.38) CYP2D6ALDH1A1CYP2C19HSD17B10MAPK1
SCHEMBL8089565 0.62 TSHR (0.50) TSHRCYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL3676402 0.62 MAPK1 (0.50) TSHRALDH1A1CYP2C19MAPK1KCNN4
SCHEMBL28175240 0.62 TSHR (0.50) TSHRCYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL27655597 0.62 TSHR (0.50) TSHRCYP2D6ALDH1A1CYP2C19MAPK1

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-7994152-B2 Method of treating a cancer by administering A 2′,5′-oligoadenylate analog SANKYO COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100035976-A1 Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-7651999-B2 phosphorothioate modification containg oligonadenylates useful as antiviral, anticarcinogenic and antitumor agent; stable and have superior activity for treating lung cancer SANKYO COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20050261235-A1 2' ,5' -Oligoadenylate analogs SANKYO COMPANY, LIMITED (JP) 2005-11-24 US disclosed
EP-1568704-A1 NOVEL 2' ,5' -OLIGOADENYLIC ACID ANALOGUES Sankyo Company, Limited (JP) 2005-08-31 EP 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-20050261235-A1 2' ,5' -Oligoadenylate analogs NSUN2, RNGTT, NSUN3 TSHR 1870/4885CYP2D6 1351/4885ALDH1A1 820/4885
US-20100035976-A1 Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog ADAR, NSUN2, ADORA3 TSHR 1214/4885CYP2D6 3074/4885ALDH1A1 3261/4885

“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.