SCHEMBL578778

SCHEMBL578778

CC(C)N(C(=O)S)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX7 Q99572 1/20 0.31
BCHE P06276 1/20 0.30
TP53 P04637 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
SCHEMBL7079407 0.79 CA12 (0.40) P2RX4P2RX1P2RX3BCHETP53
SCHEMBL10871210 0.72 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL8439081 0.72 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL4234787 0.71 TSHR (0.32)
SCHEMBL18977838 0.71
SCHEMBL8497224 0.71
SCHEMBL42466 0.69 P2RX4 (0.32) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL82497 0.69 TSHR (0.33) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL42467 0.69 TP53 (0.39) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL21159822 0.68 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020245629-A1 MIXTURES AND COMPOSITIONS OF FLUENSULFONE AND AUXIN, AND USES THEREOF ADAMA MAKHTESHIM LTD> (IL) 2020-12-10 WO claimed
US-20120135864-A1 POLLINATION IMPROVER TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-31 US claimed
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-03 US claimed
US-20120101164-A1 ABSCISSION AND CROP STORAGE UNIT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-26 US claimed
US-20120088667-A1 SAFENING AGENT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-12 US claimed
US-20120088668-A1 THINNING AGENT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-12 US claimed
EP-2416649-A2 THINNING AGENT Taminco, Naamloze Venootschap (BE) 2012-02-15 EP claimed
EP-2416648-A2 ABSCISSION AND CROP STORAGE AGENT Taminco N.V. (BE) 2012-02-15 EP claimed
EP-2416654-A2 POLLINATION IMPROVER Taminco, Naamloze Venootschap (BE) 2012-02-15 EP claimed
EP-2416653-A2 PLANT GROWTH REGULATOR ADDITIVE Taminco, Naamloze Vennootschap (BE) 2012-02-15 EP claimed
WO-2010116256-A2 THINNING AGENT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2010-10-14 WO claimed
WO-2010116259-A2 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2010-10-14 WO claimed
EP-1747201-B1 2H OR 3H-BENZO[E]INDAZOL-1-YLE CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-10-15 EP claimed
EP-0565593-B1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO CO (US) 1999-03-03 EP claimed
EP-0093105-B1 HERBICIDAL CONCENTRATED EMULSIONS MONSANTO COMPANY (US) 1989-05-31 EP claimed
EP-0179118-B1 HERBICIDAL COMPOSITIONS WITH PROLONGED ACTION AND IMPROVED SELECTIVITY NITROKEMIA IPARTELEPEK (HU) 1989-03-15 EP claimed
EP-0088066-B1 3,5-BIS (TRIFLUOROMETHYL) PHENOXY CARBOXYLIC ACIDS AND DERIVATIVES THEREOF MONSANTO COMPANY (US) 1985-04-03 EP claimed
EP-0027020-B1 2-SUBSTITUTED-4-ALKYL OR TRIHALOALKYL-5-OXAZOLECARBOXYLIC ACID DERIVATIVES, THEIR USE AS SAFENING AGENTS AND HERBICIDAL COMPOSITIONS CONTAINING THEM MONSANTO COMPANY (US) 1983-04-13 EP claimed
EP-0017409-B1 ENCAPSULATION BY INTERFACIAL POLYCONDENSATION MONSANTO COMPANY (US) 1983-03-16 EP claimed
EP-0017001-B1 HERBICIDES IN THE FORM OF AN AQUEOUS SUSPENSION CONTAINING A PYRIDAZONE AND A THIOLCARBAMATE, A CHLOROACETANILIDE OR A DINITROANILINE, AND A METHOD FOR THEIR PREPARATION AND ITS USE IN COMBATING UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1982-04-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20120101164-A1 ABSCISSION AND CROP STORAGE UNIT BROX, ACR, ABAT P2RX4 2229/4885P2RX1 2204/4885P2RX3 2141/4885
US-20120088667-A1 SAFENING AGENT PIN1, IPO11, XPO1 P2RX4 2460/4885P2RX1 1716/4885P2RX3 1961/4885
US-20120088668-A1 THINNING AGENT NAT1, MAP2, AANAT P2RX4 2508/4885P2RX1 2442/4885P2RX3 2635/4885
US-20120135864-A1 POLLINATION IMPROVER AADAT, TIPARP, GSR P2RX4 221/4885P2RX1 495/4885P2RX3 347/4885
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE MYB, ING2, AGXT P2RX4 4727/4885P2RX1 4680/4885P2RX3 4725/4885

“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.