Sugi Predict

Sugi Predict / Compounds / SCHEMBL21892083

SCHEMBL21892083

SCHEMBL21892083

CCC(NC(=O)Oc1ccccc1)OC(=O)CCC(NC(=O)Oc1ccccc1)C(O)OC(CC)NC(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ SLC1A3 P43003 1/20 0.36
▸ SIRT2 Q8IXJ6 3/20 0.36
▸ SIRT1 Q96EB6 3/20 0.36
▸ MTNR1A P48039 3/20 0.34
▸ MTNR1B P49286 3/20 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
SCHEMBL21891752 0.82 MEN1 (0.39) CYP1A2MEN1KMT2ACYP3A4GAA
SCHEMBL21891766 0.81 CYP1A2 (0.47) CYP1A2MEN1KMT2ACYP3A4GAA
SCHEMBL21891825 0.79 CYP1A2 (0.46) CYP1A2MEN1KMT2ACYP3A4GAA
SCHEMBL21891893 0.77 FAAH (0.44) CYP1A2MEN1KMT2ACYP3A4GAA
SCHEMBL21891842 0.76 CYP1A2 (0.44) CYP1A2MEN1KMT2ACYP3A4GAA
SCHEMBL21891888 0.76 CYP1A2 (0.41) CYP1A2MEN1KMT2ACYP3A4GAA
SCHEMBL23515281 0.74 CYP1A2 (0.42) CYP1A2MEN1KMT2ACYP3A4GAA
SCHEMBL21891920 0.73 CYP1A2 (0.40) CYP1A2MEN1KMT2ACYP3A4GAA
SCHEMBL23515530 0.69 FAAH (0.38) CYP1A2GAAFAAHSLC1A3SIRT2
SCHEMBL23130312 0.69 FAAH (0.38) CYP1A2GAAFAAHSLC1A3SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 — — US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 — — US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 — — US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 — — 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 (4 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 CYP1A2 502/4885MEN1 674/4885KMT2A 540/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 CYP1A2 184/4885MEN1 2818/4885KMT2A 349/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 CYP1A2 502/4885MEN1 674/4885KMT2A 540/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 CYP1A2 184/4885MEN1 2818/4885KMT2A 349/4885

“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.