SCHEMBL3580736

SCHEMBL3580736

COC(=O)[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.36
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
POLB P06746 1/20 0.33
PPM1D O15297 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 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
SCHEMBL3571035 1.00 SMN1; SMN2 (0.41) SMN1; SMN2TP53GAAPPM1BPTPN1
SCHEMBL15115983 1.00 SMN1; SMN2 (0.41) SMN1; SMN2TP53GAAPPM1BPTPN1
SCHEMBL19148890 0.90 SMN1; SMN2 (0.36) SMN1; SMN2TP53GAAPPM1BPTPN1
SCHEMBL16167661 0.90 SMN1; SMN2 (0.36) SMN1; SMN2TP53GAAPPM1BPTPN1
SCHEMBL22357286 0.90 SMN1; SMN2 (0.36) SMN1; SMN2TP53GAAPPM1BPTPN1
SCHEMBL18640150 0.86 PPM1D (0.33) PPM1D
SCHEMBL18642115 0.86 PPM1D (0.33) PPM1D
SCHEMBL1588824 0.85 HRH3 (0.42) ALDH1A1PPM1DMEN1KMT2A
SCHEMBL1498724 0.84 CHRNB2 (0.42) SMN1; SMN2TP53CHRNB2CHRNA4PPM1D
SCHEMBL1498725 0.84 CHRNB2 (0.42) SMN1; SMN2TP53CHRNB2CHRNA4PPM1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
EP-2099788-B1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2013-03-06 EP disclosed
US-8304412-B2 Cyclically substituted 3,5-dicyano-2-thiopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-8304412-B2 Cyclically substituted 3,5-dicyano-2-thiopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 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-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF QDPR, TPMT, PTGIS SMN1; SMN2 4731/4885TP53 3433/4885GAA 3804/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885TP53 4551/4885GAA 70/4885

“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.