SCHEMBL6448162

SCHEMBL6448162

CCC(C)(C)c1cc(Br)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPK1 P28482 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALDH1A1 P00352 2/20 0.35
DRD2 P14416 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 3/20 0.33
GLA P06280 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
USP2 O75604 1/20 0.33
ALPL P05186 1/20 0.33
ALOX15 P16050 1/20 0.33
APLNR P35414 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL2415131 0.81 S1PR4 (0.42) PTGDR2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL6450570 0.80 MAPK1 (0.35) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL2863699 0.78 MEN1 (0.40) PTGDR2MEN1KMT2ASMN1; SMN2DRD2
SCHEMBL2287094 0.75 RAB9A (0.43) PTGDR2MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL30393256 0.75 RAB9A (0.43) PTGDR2MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL4816617 0.73 DRD2 (0.45) SMN1; SMN2DRD2TSHRGLAALPL
SCHEMBL932790 0.73 TSHR (0.40) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL21630357 0.73 APLNR (0.38) PTGDR2MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2412558 0.73 APLNR (0.47) PTGDR2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL941194 0.73 DRD2 (0.40) SMN1; SMN2DRD2TSHRGLAALPL

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 5 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
EP-1463718-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER Incyte San Diego Incorporated (US) 2004-10-06 EP 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
WO-2003050098-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER INCYTE SAN DIEGO INCORPORATED (US) 2003-06-19 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-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.