SCHEMBL29601653

SCHEMBL29601653

CCCCSc1nc(Cl)nc2c1ncn2C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.41
SLC29A1 Q99808 3/20 0.39
CYP2C19 P33261 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPK8 P45983 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
CDK1 P06493 1/20 0.32

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
SCHEMBL29601247 0.85 SLC29A1 (0.39) NT5ESLC29A1CYP2C19ALDH1A1TSHR
SCHEMBL29601167 0.81 ALDH1A1 (0.36) NT5EALDH1A1TSHRMAPK8ADORA3
SCHEMBL22912673 0.79 CYP2C19 (0.33) SLC29A1CYP2C19HDAC1HDAC2ADORA3
SCHEMBL29601214 0.78 SLC29A1 (0.43) NT5ESLC29A1CYP2C19HDAC1HDAC2
SCHEMBL29601224 0.76 HDAC1 (0.58) HDAC1HDAC2ADORA3CDK1
SCHEMBL22912745 0.75 SLC29A1 (0.42) NT5ESLC29A1CYP2C19HDAC1HDAC2
SCHEMBL5694226 0.72 CDK1 (0.59) ADORA3CDK1
SCHEMBL29601208 0.68 HDAC1 (0.43) HDAC1HDAC2ALDH1A1
SCHEMBL29601423 0.68 ALDH1A1 (0.36) ALDH1A1TSHRMAPK8
SCHEMBL29601213 0.68 HDAC1 (0.42) HDAC1HDAC2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 US disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 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 (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-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC NT5E 636/4885SLC29A1 301/4885CYP2C19 3954/4885

“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.