SCHEMBL1172986

SCHEMBL1172986

CCC(N=C=O)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL10201901 1.00 MIF (0.42) MIFCA1CA2SMN1; SMN2ZDHHC7
SCHEMBL10695428 0.88 CA2 (0.50) MIFCA1CA2ZDHHC7MAPT
SCHEMBL27212164 0.84 CA1 (0.40) MIFCA1CA2SMN1; SMN2ZDHHC7
SCHEMBL404232 0.83 MIF (0.34) MIFCA1CA2SMN1; SMN2CA12
SCHEMBL5118852 0.83 ALDH1A1 (0.37) HSD17B10TSHRMGAMGAASI
SCHEMBL16542988 0.82 MIF (0.30) MIF
SCHEMBL7872869 0.82 CA1 (0.36) MIFCA1CA2ZDHHC7
SCHEMBL23423085 0.82 ZDHHC7 (0.39) MIFCA1CA2SMN1; SMN2ZDHHC7
SCHEMBL5724792 0.82 MIF (0.41) MIFCA1CA2SMN1; SMN2ZDHHC7
SCHEMBL21707116 0.82 CA1 (0.37) MIFCA1CA2SMN1; SMN2ZDHHC7

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US disclosed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US disclosed
US-20150216989-A1 MULTI-DAY DELIVERY OF BIOLOGICALLY ACTIVE SUBSTANCES SAMOS PHARMACEUTICALS, INC. (US) 2015-08-06 US disclosed
US-8992977-B2 Multi-day delivery of biologically active substances SAMOS PHARMACEUTICALS, LLC (US) 2015-03-31 US disclosed
US-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES BEZWADA BIOMEDICAL, LLC 2014-05-22 US disclosed
US-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES BEZWADA BIOMEDICAL, LLC 2014-05-22 US disclosed
US-20110046599-A1 Multi-Day Delivery Of Biologically Active Substances SAMOS PHARMACEUTICALS LLC 2011-02-24 US disclosed
EP-2170376-A1 MULTI-DAY DELIVERY OF BIOLOGICALLY ACTIVE SUBSTANCES Samos Pharmaceuticals, Llc (US) 2010-04-07 EP disclosed
WO-2009002542-A1 MULTI-DAY DELIVERY OF BIOLOGICALLY ACTIVE SUBSTANCES SAMOS PHARMACEUTICALS, LLC (US) 2008-12-31 WO disclosed
US-4871864-A Carbamoyloxythiophene fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4839381-A FUNGICIDES, PESTICIDES; RICE PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
EP-0243776-A2 Carbamoyloxythiophene derivatives BAYER AG (DE) 1987-11-04 EP disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP disclosed
EP-0000023-B1 OMEGA-SUBSTITUTED PENTYL UREAS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1980-07-23 EP disclosed
US-4188401-A Combating fungi with 1-(ω-substituted pentyl)-3-(2-cyano-acetyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed
EP-0000023-A1 Omega-substituted pentyl ureas, their preparation and their use as fungicides BAYER AG (DE) 1978-12-20 EP disclosed
US-4079147-A Fungicidally active derivatives of carbamic acid oxime-esters of isonitrosocyanoacetic acid BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 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-20110046599-A1 Multi-Day Delivery Of Biologically Active Substances GUSB, SERPINA6, CD44 MIF 145/4885CA1 1123/4885CA2 2803/4885
US-20150216989-A1 MULTI-DAY DELIVERY OF BIOLOGICALLY ACTIVE SUBSTANCES GUSB, SERPINA6, CD44 MIF 145/4885CA1 1123/4885CA2 2803/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 MIF 1091/4885CA1 1962/4885CA2 2109/4885
US-20140142199-A1 ABSORBABLE BRANCHED POLYESTERS AND POLYURETHANES SI, MGAM, BPHL MIF 264/4885CA1 2642/4885CA2 2860/4885

“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.