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Sugi Predict / Compounds / SCHEMBL17685994

SCHEMBL17685994

SCHEMBL17685994

CC1(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(CO)N(Cc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 3/20 0.44
▸ CYP3A4 P08684 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD11B1 P28845 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ P2RX7 Q99572 2/20 0.30
▸ ELANE P08246 2/20 0.30
▸ CTSG P08311 1/20 0.30
▸ PRTN3 P24158 1/20 0.30

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
SCHEMBL17685988 0.89 SMYD2 (0.45) SMYD2CYP3A4HTTSMN1; SMN2HSD11B1
SCHEMBL17686005 0.83 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2HSD11B1
SCHEMBL16399906 0.82 ALDH1A1 (0.40) HSD11B1ALDH1A1HSD17B10MAPTTMEM97
SCHEMBL17685931 0.81 SMYD2 (0.36) SMYD2SMN1; SMN2HSD11B1ALDH1A1HSD17B10
SCHEMBL17685981 0.77 ALDH1A1 (0.35) SMYD2HSD11B1ALDH1A1
SCHEMBL16400195 0.76 ELANE (0.40) SMN1; SMN2HSD11B1ALDH1A1HSD17B10MAPT
SCHEMBL16399366 0.76 HSD11B1 (0.40) SMN1; SMN2HSD11B1ALDH1A1HSD17B10MAPT
SCHEMBL16399520 0.75 ELANE (0.37) CYP3A4HSD11B1ALDH1A1HSD17B10MAPT
SCHEMBL16400309 0.74 ELANE (0.43) HSD11B1ALDH1A1HSD17B10MAPTTMEM97
SCHEMBL17685933 0.74 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 — — 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-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 SMYD2 4843/4885CYP3A4 28/4885HTT 2125/4885
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES PLAT, TFPI, SERPINC1 SMYD2 4314/4885CYP3A4 194/4885HTT 1442/4885

“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.