SCHEMBL20077441

SCHEMBL20077441

CCCCCCNCCOC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 3/20 0.62
S1PR2 O95136 6/20 0.50
S1PR1 P21453 6/20 0.50
S1PR3 Q99500 6/20 0.50
S1PR4 O95977 5/20 0.50
S1PR5 Q9H228 1/20 0.50
EPHX1 P07099 3/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.43
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL27174200 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL20878393 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL19509413 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL27174196 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL1532553 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL27174199 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL27425878 0.98 ALDH1A1 (0.65) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL11589699 0.91 TSHR (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL16509666 0.91 TSHR (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL800624 0.90

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-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use AbbVie S.à.r.l. (LU) 2019-04-16 US disclosed
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 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-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, P2RY1, P2RX5 ALDH1A1 3001/4885TSHR 210/4885S1PR2 141/4885
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 ALDH1A1 3001/4885TSHR 210/4885S1PR2 141/4885

“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.