SCHEMBL21494650

SCHEMBL21494650

CC(C)(C)OC(=O)NC(CCC(=O)NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
BCL2 P10415 1/20 0.52
ACE P12821 1/20 0.52
MMP2 P08253 8/20 0.50
MMP9 P14780 8/20 0.50
PPARA Q07869 5/20 0.50
PPARG P37231 4/20 0.50
PPARD Q03181 2/20 0.48
MMP13 P45452 2/20 0.46
IDO1 P14902 1/20 0.44
MMP8 P22894 3/20 0.44
MMP12 P39900 3/20 0.44
MMP14 P50281 3/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL21494647 1.00 ALDH1A1 (0.56) ALDH1A1TSHRBCL2ACEMMP2
SCHEMBL21515022 0.91 BCL2 (0.51) ALDH1A1TSHRBCL2ACEMMP2
SCHEMBL20548447 0.84 BCL2 (0.60) ALDH1A1TSHRBCL2ACEMMP9
SCHEMBL14471896 0.84 BCL2 (0.60) ALDH1A1TSHRBCL2ACEMMP9
SCHEMBL13164014 0.82 BCL2 (0.53) ALDH1A1TSHRBCL2ACEPPARA
SCHEMBL30483893 0.82 BCL2 (0.58) ALDH1A1TSHRBCL2ACEMMP2
SCHEMBL31407356 0.81 ACE (0.56) ALDH1A1TSHRACEMMP2MMP9
SCHEMBL12213922 0.80 BCL2 (0.61) ALDH1A1TSHRBCL2MMP13CTSS
SCHEMBL14471778 0.80 BCL2 (0.63) ALDH1A1TSHRBCL2PPARAPPARG
SCHEMBL1161283 0.79 CA1 (0.50) BCL2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218858-B 2, 6-Diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-06-18 CN disclosed
EP-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 EP disclosed
US-20230110478-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2023-04-13 US disclosed
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY MEDICINSK FORSKNING (SE) 2021-02-25 US disclosed
EP-3781554-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY Thomas Helledays stiftelse för medicinsk forskning (SE) 2021-02-24 EP disclosed
CN-112218858-A 2, 6-diamino-3, 4-dihydropyrimidin-4-one derivatives and their use in therapy 托马斯·黑勒戴药物研究基金会 2021-01-12 CN disclosed
WO-2019201991-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-10-24 WO 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-20230110478-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 ALDH1A1 254/4885TSHR 4631/4885BCL2 1918/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 ALDH1A1 199/4885TSHR 4655/4885BCL2 2139/4885

“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.