Sugi Predict

Sugi Predict / Compounds / SCHEMBL21733206

SCHEMBL21733206

SCHEMBL21733206

CCC[C@H]([C@H](C)c1ccccc1)[C@@H](C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ RIPK1 Q13546 1/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SMPD1 P17405 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ OPRM1 P35372 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
SCHEMBL4374391 0.88 SMN1; SMN2 (0.36) AOC3POLBSMN1; SMN2CYP3A4SIGMAR1
SCHEMBL16348497 0.81 SMN1; SMN2 (0.33) AOC3POLBSMN1; SMN2
SCHEMBL4373365 0.77 AOC3 (0.39) AOC3RIPK1TAAR1LMNAPOLB
SCHEMBL18809655 0.77 SMN1; SMN2 (0.36) AOC3POLBSMN1; SMN2CYP3A4SLC6A2
SCHEMBL4376401 0.76 LMNA (0.35) TAAR1LMNASMN1; SMN2CYP3A4SLC6A2
SCHEMBL6569762 0.72 SMN1; SMN2 (0.38) AOC3RIPK1TAAR1POLBSMN1; SMN2
SCHEMBL19009994 0.72 SMN1; SMN2 (0.38) AOC3RIPK1TAAR1POLBSMN1; SMN2
SCHEMBL16348703 0.72 PKM (0.34) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL4374644 0.72 CA12 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL4380990 0.71 TDP1 (0.41) TAAR1LMNACYP3A4ADRA2ASLC6A2

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
US-11124528-B2 Process for preparing optically active 2,3-dihydrothiazolo[3,2-A]pyrimidin-4-ium compounds BASF SE (DE) 2021-09-21 — — US disclosed
US-20210087207-A1 PROCESS FOR PREPARING CHIRAL 2,3-DIHYDROTHIAZOLO[3,2-A]PYRIMIDIN-4-IUM COMPOUNDS BASF SE (DE) 2021-03-25 — — US disclosed
US-20200055872-A1 Process for Preparing Optically Active 2,3-Dihydrothiazolo[3,2-A]pyrimidin-4-ium Compounds BASF SE (DE) 2020-02-20 — — 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 (3 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-20200055872-A1 Process for Preparing Optically Active 2,3-Dihydrothiazolo[3,2-A]pyrimidin-4-ium Compounds UMPS, UGP2, UGT1A4 MME 4618/4885AOC3 174/4885RIPK1 4709/4885
US-11124528-B2 Process for preparing optically active 2,3-dihydrothiazolo[3,2-A]pyrimidin-4-ium compounds UMPS, UGP2, UGT1A4 MME 4618/4885AOC3 174/4885RIPK1 4709/4885
US-20210087207-A1 PROCESS FOR PREPARING CHIRAL 2,3-DIHYDROTHIAZOLO[3,2-A]PYRIMIDIN-4-IUM COMPOUNDS UMPS, UGP2, XDH MME 4753/4885AOC3 431/4885RIPK1 4604/4885

“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.