Sugi Predict

Sugi Predict / Compounds / SCHEMBL6448158

SCHEMBL6448158

SCHEMBL6448158

CCC(C)(C)c1cc(Br)ccc1OCC(C)(C)[SiH](C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ NPSR1 Q6W5P4 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ UBE2N P61088 2/20 0.36
▸ GLA P06280 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ USP2 O75604 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ RAD52 P43351 2/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

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
SCHEMBL2863698 0.79 KMT2A (0.44) PTGDR2MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2287091 0.79 AAK1 (0.47) MEN1KMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4816613 0.78 SMN1; SMN2 (0.42) PTGDR2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL941193 0.78 GLA (0.42) PTGDR2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22208677 0.78 TSHR (0.46) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL15208869 0.76 CYP2C9 (0.41) PTGDR2MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL15208943 0.75 HRH4 (0.35) PTGDR2MEN1KMT2AHTTNPY1R
SCHEMBL14992970 0.75 HTR2A (0.36) PTGDR2MEN1KMT2AMAPK1NPSR1
SCHEMBL15208753 0.75 AAK1 (0.38) PTGDR2MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL4621185 0.74 AAK1 (0.36) PTGDR2MEN1KMT2ASMN1; SMN2ALDH1A1

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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 — — US disclosed
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 — — WO disclosed
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer INCYTE SAN DIEGO INCORPORATED 2004-05-20 — — 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 (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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases AR, CCNT1, BRD1 PTGDR2 941/4885MEN1 3126/4885KMT2A 1609/4885
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer PTPA, PTPRC, PTPRCAP PTGDR2 934/4885MEN1 3865/4885KMT2A 1090/4885

“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.