SCHEMBL20249118

SCHEMBL20249118

CC(C)(C)c1ccc(CN(CC2CCOCC2)S(C)(=O)=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ TAS2R14 Q9NYV8 5/20 0.39
▸ RORC P51449 4/20 0.37
▸ GCK P35557 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ PTGES O14684 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
SCHEMBL18291576 0.85 TLR7 (0.38) CNR2CNR1TAS2R14RORC
SCHEMBL18291401 0.84 FFAR2 (0.35) CNR2CNR1TAS2R14RORCCSF1R
SCHEMBL20255410 0.84 FFAR2 (0.35) CNR2CNR1TAS2R14RORCCSF1R
SCHEMBL20249123 0.82 ALDH1A1 (0.45) —
SCHEMBL20249120 0.82 ALDH1A1 (0.45) —
SCHEMBL20249122 0.80 CNR2 (0.41) CNR2CNR1RORCGCK
SCHEMBL20249152 0.77 SLC6A2 (0.36) CNR2CNR1
SCHEMBL20249183 0.72 ALDH1A1 (0.40) TAS2R14
SCHEMBL10328556 0.70 TAS2R14 (0.60) CNR2CNR1TAS2R14
SCHEMBL18291553 0.67 SMN1; SMN2 (0.47) —

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 — — US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 — — 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 (1 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 CNR2 2055/4885CNR1 1966/4885TAS2R14 3866/4885

“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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